diff --git a/trimsp/work/dichte.dat b/trimsp/work/dichte.dat new file mode 100644 index 0000000..a66c12c --- /dev/null +++ b/trimsp/work/dichte.dat @@ -0,0 +1,92 @@ + H 0.08 + He 0.12 + Li 0.53 + Be 1.85 + B 2.35 + C 3.51 + N 1.03 + O 2.00 + F 1.11 + Ne 1.50 + Na 0.97 + Mg 1.74 + Al 2.70 + Si 2.33 + P 1.00 + S 2.07 + Cl 2.03 + Ar 1.77 + K 0.86 + Ca 1.54 + Sc 2.99 + Ti 4.51 + V 6.09 + Cr 7.14 + Mn 7.44 + Fe 7.87 + Co 8.89 + Ni 8.91 + Cu 8.92 + Zn 7.14 + Ga 5.91 + Ge 5.32 + As 5.72 + Se 4.19 + Br 3.14 + Kr 3.10 + Rb 1.53 + Sr 2.63 + Y 4.47 + Zr 6.51 + Nb 8.58 + Mo 10.28 + Tc 11.49 + Ru 12.45 + Rh 12.41 + Pd 12.02 + Ag 10.49 + Cd 8.64 + In 7.31 + Sn 7.29 + Sb 6.69 + Te 6.25 + I 4.94 + Xe 3.80 + Cs 1.90 + Ba 3.65 + La 6.16 + Ce 6.77 + Pr 6.48 + Nd 7.00 + Pm 7.22 + Sm 7.54 + Eu 5.25 + Gd 7.89 + Tb 8.25 + Dy 8.56 + Ho 8.78 + Er 9.05 + Tm 9.32 + Yb 6.97 + Lu 9.84 + Hf 13.31 + Ta 16.68 + W 19.26 + Re 21.03 + Os 22.61 + Ir 22.65 + Pt 21.45 + Au 19.32 + Hg 13.55 + Tl 11.85 + Pb 11.34 + Bi 9.80 + Po 9.20 + At 0.10 + Rn 0.10 + Fr 0.10 + Ra 5.50 + Ac 10.07 + Th 11.72 + Pa 15.37 + U 18.97 diff --git a/trimsp/work/elast.dat b/trimsp/work/elast.dat new file mode 100644 index 0000000..ce7358b --- /dev/null +++ b/trimsp/work/elast.dat @@ -0,0 +1,93 @@ + H 0.10000 + He 0.10000 + Li 1.63000 + Be 3.32000 + B 5.77000 + C 7.37000 + N 4.92000 + O 2.60000 + F 0.84000 + Ne 0.02000 + Na 1.11000 + Mg 1.51000 + Al 3.39000 + Si 4.63000 + P 3.43000 + S 2.85000 + Cl 1.40000 + Ar 0.08000 + K 0.93000 + Ca 1.84000 + Sc 3.90000 + Ti 4.85000 + V 5.31000 + Cr 4.10000 + Mn 2.92000 + Fe 4.28000 + Co 4.39000 + Ni 4.44000 + Cu 3.49000 + Zn 1.35000 + Ga 2.81000 + Ge 3.85000 + As 2.96000 + Se 2.25000 + Br 1.22000 + Kr 0.12000 + Rb 0.85000 + Sr 1.72000 + Y 4.37000 + Zr 6.25000 + Nb 7.57000 + Mo 6.82000 + Tc 6.85000 + Ru 6.74000 + Rh 5.75000 + Pd 3.89000 + Ag 2.95000 + Cd 1.16000 + In 2.52000 + Sn 3.14000 + Sb 2.75000 + Te 2.23000 + I 1.11000 + Xe 0.16000 + Cs 0.80000 + Ba 1.90000 + La 4.47000 + Ce 4.32000 + Pr 3.70000 + Nd 3.40000 + Pm 0.10000 + Sm 2.14000 + Eu 1.86000 + Gd 4.14000 + Tb 4.05000 + Dy 3.04000 + Ho 3.14000 + Er 3.29000 + Tm 2.42000 + Yb 1.60000 + Lu 4.43000 + Hf 6.44000 + Ta 8.10000 + W 8.90000 + Re 8.03000 + Os 8.17000 + Ir 6.94000 + Pt 5.84000 + Au 3.81000 + Hg 0.67000 + Tl 1.88000 + Pb 2.03000 + Bi 2.18000 + Po 1.50000 + At 0.10000 + Rn 0.20000 + Fr 0.10000 + Ra 1.66000 + Ac 4.25000 + Th 6.20000 + Pa 0.10000 + U 5.55000 + 0.00000 diff --git a/trimsp/work/masse.dat b/trimsp/work/masse.dat new file mode 100644 index 0000000..9bcdfab --- /dev/null +++ b/trimsp/work/masse.dat @@ -0,0 +1,92 @@ + H 1.00800 + He 4.00300 + Li 6.93900 + Be 9.01200 + B 10.81100 + C 12.01100 + N 14.00700 + O 15.99900 + F 18.99800 + Ne 20.18300 + Na 22.99000 + Mg 24.31200 + Al 26.98200 + Si 28.08600 + P 30.97400 + S 32.06400 + Cl 35.45300 + Ar 39.94800 + K 39.10200 + Ca 40.08000 + Sc 44.95600 + Ti 47.90000 + V 50.94200 + Cr 51.99600 + Mn 54.93800 + Fe 55.84700 + Co 58.93300 + Ni 58.71000 + Cu 63.54000 + Zn 65.37000 + Ga 69.72000 + Ge 72.59000 + As 74.92200 + Se 78.96000 + Br 79.90900 + Kr 83.80000 + Rb 85.47000 + Sr 87.62000 + Y 88.90500 + Zr 91.22000 + Nb 92.90600 + Mo 95.94000 + Tc 98.00000 + Ru 101.07000 + Rh 102.90500 + Pd 106.40000 + Ag 107.87000 + Cd 112.40000 + In 114.82000 + Sn 118.69000 + Sb 121.75000 + Te 127.60000 + I 126.90400 + Xe 131.30000 + Cs 132.90500 + Ba 137.34000 + La 138.91000 + Ce 140.12000 + Pr 140.90700 + Nd 144.24001 + Pm 147.00000 + Sm 150.35001 + Eu 151.96001 + Gd 157.25000 + Tb 158.92400 + Dy 162.50000 + Ho 164.92999 + Er 167.25999 + Tm 168.93401 + Yb 173.03999 + Lu 174.97000 + Hf 178.49001 + Ta 180.94800 + W 183.85001 + Re 186.20000 + Os 190.20000 + Ir 192.20000 + Pt 195.09000 + Au 196.96700 + Hg 200.59000 + Tl 204.37000 + Pb 207.19000 + Bi 208.98000 + Po 210.00000 + At 210.00000 + Rn 222.00000 + Fr 223.00000 + Ra 226.00000 + Ac 227.00000 + Th 232.03799 + Pa 231.00000 + U 238.03000 diff --git a/trimsp/work/readme1st.txt b/trimsp/work/readme1st.txt new file mode 100644 index 0000000..ff0c18a --- /dev/null +++ b/trimsp/work/readme1st.txt @@ -0,0 +1,26 @@ +Dateienverzeichnis + +TrimSp7L.f : Fortran Code von TrimSp + rechnet 7 Layer mit jeweils maximal 5 Elementen + 100 Stuetzstellen +TrimSp7L.exe : executable +TrimSp7L-test.f : + rechnet 7 Layer mit jeweils maximal 5 Elementen + 1000 Stuetzstellen +TrimSp7L-test.exe : executable + +Datmak7L : Fortran Code zum Erstellen von input Dateien fuer TrimSp3L Rechnungen + benutzt Stopping power nach ICRU (DateiL Stopicru.dat) + wenn man andere Stopping powers nehmen moechte, muss man das im + Fortran Code aendern + +will man mit TrimSp7L-test rechnen, muss man in der Batch Datei TrimSp7L durch +TrimSp7L-test ersetzen + +dichte.dat : Dichte der Elemente +masse.dat : Masse der Elemente +elast.dat : Festkoerperbindungsenergie der Elemente +stopicru : Energieverlust von p in den Elementen, hier nach ICRU +stopping : Energieverlust von p in den Elementen, hier nach AZ + +generelle Beschreibung von TrimSp findet man in der Datei TRVMC95-3L.txt \ No newline at end of file diff --git a/trimsp/work/stopicru.dat b/trimsp/work/stopicru.dat new file mode 100644 index 0000000..1753dea --- /dev/null +++ b/trimsp/work/stopicru.dat @@ -0,0 +1,92 @@ + H 1.25400 1.44000 242.60001 12000.00000 0.11590 + He 1.22900 1.39700 484.50000 5873.00000 0.05225 + Li 1.41100 1.60000 725.59998 3013.00000 0.04578 + Be 2.24800 2.59000 966.00000 153.80000 0.03475 + B 2.47400 2.81500 1206.00000 1060.00000 0.02855 + C 0.00000 2.60100 1701.00000 1279.00000 0.01638 + N 2.95400 3.35000 1683.00000 1900.00000 0.02513 + O 2.65200 3.00000 1920.00000 2000.00000 0.02230 + F 2.08500 2.35200 2157.00000 2634.00000 0.01816 + Ne 1.95100 2.19900 2393.00000 2699.00000 0.01568 + Na 2.54200 2.86900 2628.00000 1854.00000 0.01472 + Mg 3.79100 4.29300 2862.00000 1009.00000 0.01397 + Al 4.15400 4.73900 2766.00000 164.50000 0.02023 + Si 4.91400 5.59800 3193.00000 232.70000 0.01419 + P 3.23200 3.64700 3561.00000 1560.00000 0.01267 + S 3.44700 3.89100 3792.00000 1219.00000 0.01211 + Cl 5.30100 6.00800 3969.00000 645.09998 0.01183 + Ar 5.73100 6.50000 4253.00000 530.00000 0.01123 + K 5.15200 5.83300 4482.00000 545.70001 0.01129 + Ca 5.52100 6.25200 4710.00000 553.29999 0.01120 + Sc 5.20100 5.88400 4938.00000 560.90002 0.01000 + Ti 4.85800 5.48900 5260.00000 651.09998 0.00893 + V 4.47900 5.05500 5391.00000 952.29999 0.00912 + Cr 3.98300 4.48900 5616.00000 1336.00000 0.00841 + Mn 3.46900 3.90700 5725.00000 1461.00000 0.00883 + Fe 3.51900 3.96300 6065.00000 1243.00000 0.00778 + Co 3.14000 3.53500 6288.00000 1372.00000 0.00736 + Ni 3.55300 4.00400 6205.00000 555.09998 0.00876 + Cu 3.69600 4.19400 4649.00000 81.13000 0.02242 + Zn 4.21000 4.75000 6953.00000 295.20001 0.00681 + Ga 5.04100 5.69700 7137.00000 202.60001 0.00673 + Ge 5.55400 6.30000 6496.00000 110.00000 0.00969 + As 5.32300 6.01200 7611.00000 292.50000 0.00645 + Se 5.87400 6.65600 7395.00000 117.50000 0.00768 + Br 6.65800 7.53600 7694.00000 222.30000 0.00651 + Kr 6.41300 7.24000 11850.00000 153.70000 0.00288 + Rb 5.69400 6.42900 8478.00000 292.89999 0.00609 + Sr 6.33900 7.15900 8693.00000 330.29999 0.00600 + Y 6.40700 7.23400 8907.00000 367.79999 0.00589 + Zr 6.73400 7.60300 9120.00000 405.20001 0.00576 + Nb 6.90100 7.79100 9333.00000 442.70001 0.00559 + Mo 6.42400 7.24800 9545.00000 480.20001 0.00538 + Tc 6.79900 7.67100 9756.00000 517.59998 0.00532 + Ru 6.10900 6.88700 9966.00000 555.09998 0.00515 + Rh 5.92400 6.67700 10180.00000 592.50000 0.00492 + Pd 5.23800 5.90000 10380.00000 630.00000 0.00476 + Ag 5.34500 6.03800 6790.00000 397.79999 0.01676 + Cd 5.81400 6.55400 10800.00000 355.50000 0.00463 + In 6.22900 7.02400 11010.00000 370.89999 0.00454 + Sn 6.40900 7.22700 11210.00000 386.39999 0.00447 + Sb 7.50000 8.48000 8608.00000 348.00000 0.00907 + Te 6.97900 7.87100 11620.00000 392.39999 0.00440 + I 7.72500 8.71600 11830.00000 394.79999 0.00438 + Xe 8.33700 9.42500 10510.00000 269.60001 0.00621 + Cs 7.28700 8.21800 12230.00000 399.70001 0.00445 + Ba 7.89900 8.91100 12430.00000 402.10001 0.00451 + La 8.04100 9.07100 12630.00000 404.50000 0.00454 + Ce 7.48800 8.44400 12830.00000 406.89999 0.00442 + Pr 7.29100 8.21900 13030.00000 409.29999 0.00430 + Nd 7.09800 8.00000 13230.00000 411.79999 0.00418 + Pm 6.90900 7.78600 13430.00000 414.20001 0.00406 + Sm 6.72800 7.58000 13620.00000 416.60001 0.00398 + Eu 6.55100 7.38000 13820.00000 419.00000 0.00388 + Gd 6.73900 7.59200 14020.00000 421.39999 0.00386 + Tb 6.21200 6.99600 14210.00000 423.89999 0.00372 + Dy 5.51700 6.21000 14400.00000 426.29999 0.00363 + Ho 5.22000 5.87400 14600.00000 428.70001 0.00350 + Er 5.07100 5.70600 14790.00000 433.00000 0.00341 + Tm 4.92600 5.54200 14980.00000 433.50000 0.00334 + Yb 4.78800 5.38600 15170.00000 435.89999 0.00329 + Lu 4.89300 5.50500 15360.00000 438.29999 0.00324 + Hf 5.02800 5.65700 15550.00000 440.79999 0.00320 + Ta 4.73800 5.32900 15740.00000 443.20001 0.00319 + W 4.58700 5.16000 15410.00000 415.29999 0.00341 + Re 5.20100 5.85100 16120.00000 441.60001 0.00312 + Os 5.07100 5.70400 16300.00000 440.89999 0.00308 + Ir 4.94600 5.56300 16490.00000 440.10001 0.00296 + Pt 4.47700 5.03400 16670.00000 439.29999 0.00287 + Au 4.84400 5.45800 7852.00000 975.79999 0.02077 + Hg 4.30700 4.84300 17040.00000 487.79999 0.00288 + Tl 4.72300 5.31100 17220.00000 537.00000 0.00291 + Pb 5.31900 5.98200 17400.00000 586.29999 0.00287 + Bi 5.95600 6.70000 17800.00000 677.00000 0.00266 + Po 6.15800 6.92800 17770.00000 586.29999 0.00281 + At 6.20300 6.97900 17950.00000 586.29999 0.00278 + Rn 6.18100 6.95400 18120.00000 586.29999 0.00275 + Fr 6.94900 7.82000 18300.00000 586.29999 0.00274 + Ra 7.50600 8.44800 18480.00000 586.29999 0.00273 + Ac 7.64800 8.60900 18660.00000 586.29999 0.00270 + Th 7.71100 8.67900 18830.00000 586.29999 0.00264 + Pa 7.40700 8.33600 19010.00000 586.29999 0.00260 + U 7.29000 8.20400 19180.00000 586.29999 0.00267 diff --git a/trimsp/work/stopicru_ar-noinelast.dat b/trimsp/work/stopicru_ar-noinelast.dat new file mode 100644 index 0000000..be4652c --- /dev/null +++ b/trimsp/work/stopicru_ar-noinelast.dat @@ -0,0 +1,92 @@ + H 1.25400 1.44000 242.60001 12000.00000 0.11590 + He 1.22900 1.39700 484.50000 5873.00000 0.05225 + Li 1.41100 1.60000 725.59998 3013.00000 0.04578 + Be 2.24800 2.59000 966.00000 153.80000 0.03475 + B 2.47400 2.81500 1206.00000 1060.00000 0.02855 + C 0.00000 2.60100 1701.00000 1279.00000 0.01638 + N 2.95400 3.35000 1683.00000 1900.00000 0.02513 + O 2.65200 3.00000 1920.00000 2000.00000 0.02230 + F 2.08500 2.35200 2157.00000 2634.00000 0.01816 + Ne 1.95100 2.19900 2393.00000 2699.00000 0.01568 + Na 2.54200 2.86900 2628.00000 1854.00000 0.01472 + Mg 3.79100 4.29300 2862.00000 1009.00000 0.01397 + Al 4.15400 4.73900 2766.00000 164.50000 0.02023 + Si 4.91400 5.59800 3193.00000 232.70000 0.01419 + P 3.23200 3.64700 3561.00000 1560.00000 0.01267 + S 3.44700 3.89100 3792.00000 1219.00000 0.01211 + Cl 5.30100 6.00800 3969.00000 645.09998 0.01183 + Ar 0.00000 0.00000 0.00000 0.00000 0.00000 + K 5.15200 5.83300 4482.00000 545.70001 0.01129 + Ca 5.52100 6.25200 4710.00000 553.29999 0.01120 + Sc 5.20100 5.88400 4938.00000 560.90002 0.01000 + Ti 4.85800 5.48900 5260.00000 651.09998 0.00893 + V 4.47900 5.05500 5391.00000 952.29999 0.00912 + Cr 3.98300 4.48900 5616.00000 1336.00000 0.00841 + Mn 3.46900 3.90700 5725.00000 1461.00000 0.00883 + Fe 3.51900 3.96300 6065.00000 1243.00000 0.00778 + Co 3.14000 3.53500 6288.00000 1372.00000 0.00736 + Ni 3.55300 4.00400 6205.00000 555.09998 0.00876 + Cu 3.69600 4.19400 4649.00000 81.13000 0.02242 + Zn 4.21000 4.75000 6953.00000 295.20001 0.00681 + Ga 5.04100 5.69700 7137.00000 202.60001 0.00673 + Ge 5.55400 6.30000 6496.00000 110.00000 0.00969 + As 5.32300 6.01200 7611.00000 292.50000 0.00645 + Se 5.87400 6.65600 7395.00000 117.50000 0.00768 + Br 6.65800 7.53600 7694.00000 222.30000 0.00651 + Kr 6.41300 7.24000 11850.00000 153.70000 0.00288 + Rb 5.69400 6.42900 8478.00000 292.89999 0.00609 + Sr 6.33900 7.15900 8693.00000 330.29999 0.00600 + Y 6.40700 7.23400 8907.00000 367.79999 0.00589 + Zr 6.73400 7.60300 9120.00000 405.20001 0.00576 + Nb 6.90100 7.79100 9333.00000 442.70001 0.00559 + Mo 6.42400 7.24800 9545.00000 480.20001 0.00538 + Tc 6.79900 7.67100 9756.00000 517.59998 0.00532 + Ru 6.10900 6.88700 9966.00000 555.09998 0.00515 + Rh 5.92400 6.67700 10180.00000 592.50000 0.00492 + Pd 5.23800 5.90000 10380.00000 630.00000 0.00476 + Ag 5.34500 6.03800 6790.00000 397.79999 0.01676 + Cd 5.81400 6.55400 10800.00000 355.50000 0.00463 + In 6.22900 7.02400 11010.00000 370.89999 0.00454 + Sn 6.40900 7.22700 11210.00000 386.39999 0.00447 + Sb 7.50000 8.48000 8608.00000 348.00000 0.00907 + Te 6.97900 7.87100 11620.00000 392.39999 0.00440 + I 7.72500 8.71600 11830.00000 394.79999 0.00438 + Xe 8.33700 9.42500 10510.00000 269.60001 0.00621 + Cs 7.28700 8.21800 12230.00000 399.70001 0.00445 + Ba 7.89900 8.91100 12430.00000 402.10001 0.00451 + La 8.04100 9.07100 12630.00000 404.50000 0.00454 + Ce 7.48800 8.44400 12830.00000 406.89999 0.00442 + Pr 7.29100 8.21900 13030.00000 409.29999 0.00430 + Nd 7.09800 8.00000 13230.00000 411.79999 0.00418 + Pm 6.90900 7.78600 13430.00000 414.20001 0.00406 + Sm 6.72800 7.58000 13620.00000 416.60001 0.00398 + Eu 6.55100 7.38000 13820.00000 419.00000 0.00388 + Gd 6.73900 7.59200 14020.00000 421.39999 0.00386 + Tb 6.21200 6.99600 14210.00000 423.89999 0.00372 + Dy 5.51700 6.21000 14400.00000 426.29999 0.00363 + Ho 5.22000 5.87400 14600.00000 428.70001 0.00350 + Er 5.07100 5.70600 14790.00000 433.00000 0.00341 + Tm 4.92600 5.54200 14980.00000 433.50000 0.00334 + Yb 4.78800 5.38600 15170.00000 435.89999 0.00329 + Lu 4.89300 5.50500 15360.00000 438.29999 0.00324 + Hf 5.02800 5.65700 15550.00000 440.79999 0.00320 + Ta 4.73800 5.32900 15740.00000 443.20001 0.00319 + W 4.58700 5.16000 15410.00000 415.29999 0.00341 + Re 5.20100 5.85100 16120.00000 441.60001 0.00312 + Os 5.07100 5.70400 16300.00000 440.89999 0.00308 + Ir 4.94600 5.56300 16490.00000 440.10001 0.00296 + Pt 4.47700 5.03400 16670.00000 439.29999 0.00287 + Au 4.84400 5.45800 7852.00000 975.79999 0.02077 + Hg 4.30700 4.84300 17040.00000 487.79999 0.00288 + Tl 4.72300 5.31100 17220.00000 537.00000 0.00291 + Pb 5.31900 5.98200 17400.00000 586.29999 0.00287 + Bi 5.95600 6.70000 17800.00000 677.00000 0.00266 + Po 6.15800 6.92800 17770.00000 586.29999 0.00281 + At 6.20300 6.97900 17950.00000 586.29999 0.00278 + Rn 6.18100 6.95400 18120.00000 586.29999 0.00275 + Fr 6.94900 7.82000 18300.00000 586.29999 0.00274 + Ra 7.50600 8.44800 18480.00000 586.29999 0.00273 + Ac 7.64800 8.60900 18660.00000 586.29999 0.00270 + Th 7.71100 8.67900 18830.00000 586.29999 0.00264 + Pa 7.40700 8.33600 19010.00000 586.29999 0.00260 + U 7.29000 8.20400 19180.00000 586.29999 0.00267 diff --git a/trimsp/work/stopping.dat b/trimsp/work/stopping.dat new file mode 100644 index 0000000..f554275 --- /dev/null +++ b/trimsp/work/stopping.dat @@ -0,0 +1,92 @@ + H 1.26200 1.44000 242.60001 12000.00000 0.11590 + He 1.22900 1.39700 484.50000 5873.00000 0.05225 + Li 1.41100 1.60000 725.59998 3013.00000 0.04578 + Be 2.24800 2.59000 966.00000 153.80000 0.03475 + B 2.47400 2.81500 1206.00000 1060.00000 0.02855 + C 2.63100 2.98900 1445.00000 957.20001 0.02819 + N 2.95400 3.35000 1683.00000 1900.00000 0.02513 + O 2.65200 3.00000 1920.00000 2000.00000 0.02230 + F 2.08500 2.35200 2157.00000 2634.00000 0.01816 + Ne 1.95100 2.19900 2393.00000 2699.00000 0.01568 + Na 2.54200 2.86900 2628.00000 1854.00000 0.01472 + Mg 3.79200 4.29300 2862.00000 1009.00000 0.01397 + Al 4.15400 4.73900 2766.00000 164.50000 0.02023 + Si 4.15000 4.70000 3329.00000 550.00000 0.01321 + P 3.23200 3.64700 3561.00000 1560.00000 0.01267 + S 3.44700 3.89100 3792.00000 1219.00000 0.01211 + Cl 5.04700 5.71400 4023.00000 878.59998 0.01178 + Ar 5.73100 6.50000 4253.00000 530.00000 0.01123 + K 5.15100 5.83300 4482.00000 545.70001 0.01129 + Ca 5.52100 6.25200 4710.00000 553.29999 0.01112 + Sc 5.20100 5.88400 4938.00000 560.90002 0.01000 + Ti 4.86200 5.49600 5165.00000 568.50000 0.00947 + V 4.48000 5.05500 5391.00000 952.29999 0.00912 + Cr 3.98300 4.48900 5616.00000 1336.00000 0.00841 + Mn 3.46900 3.90700 5725.00000 1461.00000 0.00883 + Fe 3.51900 3.96300 6065.00000 1243.00000 0.00778 + Co 3.14000 3.53500 6288.00000 1372.00000 0.00736 + Ni 3.55300 4.00400 6205.00000 555.09998 0.00876 + Cu 3.69600 4.17500 4673.00000 387.79999 0.02188 + Zn 4.21000 4.75000 6953.00000 295.20001 0.00681 + Ga 5.04100 5.69700 7173.00000 202.60001 0.00673 + Ge 5.55400 6.30000 6496.00000 110.00000 0.00969 + As 5.32300 6.01200 7611.00000 292.50000 0.00645 + Se 5.87400 6.65600 7395.00000 117.50000 0.00768 + Br 5.61100 6.33500 8046.00000 365.20001 0.00624 + Kr 6.41100 7.25000 8262.00000 220.00000 0.00609 + Rb 5.69400 6.42900 8478.00000 292.89999 0.00609 + Sr 6.33900 7.15900 8693.00000 330.29999 0.00600 + Y 6.40700 7.23400 8907.00000 367.79999 0.00589 + Zr 6.73400 7.60300 9120.00000 405.20001 0.00576 + Nb 6.90200 7.79100 9333.00000 442.70001 0.00559 + Mo 6.42500 7.24800 9545.00000 480.20001 0.00532 + Tc 6.79900 7.67100 9756.00000 517.59998 0.00532 + Ru 6.10800 6.88700 9966.00000 555.09998 0.00515 + Rh 5.92400 6.67700 10180.00000 592.50000 0.00492 + Pd 5.23800 5.90000 10380.00000 630.00000 0.00476 + Ag 5.62300 6.35400 7160.00000 337.60001 0.01394 + Cd 5.81400 6.55400 10800.00000 355.50000 0.00463 + In 6.23000 7.02400 11010.00000 370.89999 0.00454 + Sn 6.41000 7.22700 11210.00000 386.39999 0.00447 + Sb 7.50000 8.48000 8608.00000 348.00000 0.00907 + Te 6.97900 7.87100 11620.00000 392.39999 0.00440 + I 7.72500 8.71600 11830.00000 394.79999 0.00438 + Xe 8.23100 9.28900 12030.00000 397.29999 0.00438 + Cs 7.28700 8.21800 12230.00000 399.70001 0.00445 + Ba 7.89900 8.91100 12430.00000 402.10001 0.00451 + La 8.04100 9.07100 12630.00000 404.50000 0.00454 + Ce 7.48900 8.44400 12830.00000 406.89999 0.00442 + Pr 7.29100 8.21900 13030.00000 409.29999 0.00430 + Nd 7.09800 8.00000 13230.00000 411.79999 0.00418 + Pm 6.91000 7.78600 13430.00000 414.20001 0.00406 + Sm 6.72800 7.58000 13620.00000 416.60001 0.00398 + Eu 6.55100 7.38000 13820.00000 419.00000 0.00388 + Gd 6.73900 7.59200 14020.00000 421.39999 0.00386 + Tb 6.21200 6.99600 14120.00000 423.89999 0.00372 + Dy 5.51700 6.21000 14400.00000 426.29999 0.00363 + Ho 5.21900 5.87400 14600.00000 428.70001 0.00350 + Er 5.07100 5.70600 14790.00000 433.00000 0.00341 + Tm 4.92600 5.54200 14980.00000 433.50000 0.00334 + Yb 4.78700 5.38600 15170.00000 435.89999 0.00329 + Lu 4.89300 5.50500 15360.00000 438.39999 0.00324 + Hf 5.02800 5.65700 15550.00000 440.79999 0.00320 + Ta 4.73800 5.32900 15740.00000 443.20001 0.00319 + W 4.57400 5.14400 15930.00000 442.39999 0.00314 + Re 5.20000 5.85100 16120.00000 441.60001 0.00312 + Os 5.07000 5.70400 16300.00000 440.89999 0.00308 + Ir 4.94500 5.56300 16490.00000 440.10001 0.00296 + Pt 4.47600 5.03400 16670.00000 439.29999 0.00287 + Au 4.85600 5.46000 18320.00000 438.50000 0.00254 + Hg 4.30800 4.84300 17040.00000 487.79999 0.00288 + Tl 4.72300 5.31100 17220.00000 537.00000 0.00291 + Pb 5.31900 5.98200 17400.00000 586.29999 0.00287 + Bi 5.95600 6.70000 17800.00000 677.00000 0.00266 + Po 6.15800 6.92800 17770.00000 586.29999 0.00281 + At 6.20400 6.97900 17950.00000 586.29999 0.00278 + Rn 6.18100 6.95400 18120.00000 586.29999 0.00275 + Fr 6.94900 7.82000 18300.00000 586.29999 0.00274 + Ra 7.50600 8.44800 18480.00000 586.29999 0.00273 + Ac 7.64900 8.60900 18660.00000 586.29999 0.00270 + Th 7.71000 8.67900 18830.00000 586.29999 0.00264 + Pa 7.40700 8.33600 19010.00000 586.29999 0.00260 + U 7.29000 8.20400 19180.00000 586.29999 0.00257 diff --git a/trimsp/work/trvmc95-7L.txt b/trimsp/work/trvmc95-7L.txt new file mode 100644 index 0000000..458e072 --- /dev/null +++ b/trimsp/work/trvmc95-7L.txt @@ -0,0 +1,1055 @@ +c Stand Juli 2000 +c +c fuer Version TrimSp7L +c die entsprechenden Arrays wurden von 3 Layern auf 7 Layern erweitert +c fuer Version TrimSp7L-test +c es werden 1000 Stuetzstellen verwendet +c +c program trvmc +cc +c static trim.sp for reflection and sputtering of a +c multi-component target +c +c w.eckstein ipp/op d-85748 garching frg +c +c vectorized version to run on a cray or vp-200 +c (established at ipp garching and ipp nagoya) +c +c the compilation on workstations must be done with double +c precision (IBM : xlf -qautodbl=dblpad) +c +c calculated data on disc +c +c +c +c program description november 1995 +c see w.eckstein , computer simulation of ion-solid interactions, +c springer series in material science, vol.10, +c springer, heidelberg, berlin 1991 +c +c +c input data (see table 6.1 in book above) +c +c 1. record [100 format(2F7.2,1F12.2,7F9.2)] +c z1 atomic number of projectile +c m1 mass (in amu) of projectile +c e0 energy of projectile (in ev) +c if e0.gt.0. the projectile has the fixed +c energy e0 +c if e0.lt.0. a maxwellian velocity distribution for +c the projectile is assumed with an ion +c temperature ti=-e0 +c if e0.lt.0.and alpha.lt.0. a maxwellian energy +c distribution for the projectile is assumed with an ion +c temperature ti=-e0 +c esig sigma of a gaussian energy distribution (in eV) +c if esig.eq.0. then the particle energy is e0 +c if not then a gaussian energy distribution is used +c alpha angle of incidence (in degree) with respect to the +c surface normal +c if alpha.ge.0. the projectile impinges at the fixed +c angle of incidence alpha +c if alpha.gt.90. the projectile starts inside the solid +c with an angle alpha (x0 should be larger than 0.) +c if alpha.eq.-1. a random distribution of the projectile +c is assumed +c if alpha.lt.-2. a cosine distribution for the projectile +c is assumed +c alphasig sigma of a gaussian distribution for alpha. If alpha >= 0. and +c alphasig > 0. then a gaussian distribution for the angle of +c incidence is used. +c ef cutoff energy of projectiles (in ev) +c ef must be larger than zero +c esb surface binding energies for projectiles (in ev) +c sheath sheath potential (in ev) +c typically 3kT : sheath = 3 |e0| +c erc recoil cutoff energy; it is usually equal to the +c surface binding energy (sbe); it can be applied to +c cases, where erc.gt.sbe +c +c 2. record [101 format(I9,3F8.0,1F7.2,1F7.0,2F7.2,6I4,I3)] +c nh number of projectiles +c ri initial random number +c necessary for an exact repetition of a calculation +c ri2 initial random number for a gaussion energy distribution +c ri3 initial random number for a gaussion distribution of alpha +c x0 starting depth of projectile (in a) +c if x0 is zero or negative the projectile starts at +c x=-su=-2.*pmax. the uppermost target atoms are at +c x=0. they do not form a complete layer, they are +c distributed randomly +c rd depth to which recoils are followed +c rd = 50 usually sufficient for sputtering if the +c projectile energy is not too high +c rd = 100 cw for following the full cascade +c cw depth interval for calculated depth distributions (in A) +c ca correction factor to the firsov screening length +c for collisions between projectile and target atom +c (only for application of moliere-potential) +c usually ca = 1.00 +c kk0 maximum order of weak (simultaneous) collisions +c between projectiles and target atoms. kk0 must be +c between 0 and 4 (0 means no weak collisions included) +c kk0r maximum order of weak (simultaneous) collisions bet- +c ween target atoms. kk0r must be between 0 and 4 +c kdee1 inelastic energy loss model for projectiles +c =1 nonlocal, lindhard-scharff +c =2 local, oen-robinson +c =3 equipartition of 1 and 2 +c =4 nonlocal, andersen-ziegler tables for hydrogen +c =5 nonlocal, ziegler tables for helium +c kdee2 inelastic energy loss for target atoms +c =1 nonlocal, lindhard-scharff +c =2 local, oen-robinson +c =3 equipartition of 1 and 2 +c ipot interaction potential between projectile and target atom +c =1 krypton-carbon potential +c =2 moliere potential +c =3 ziegler-biersack-littmark potential +c ipotr interaction potential between target atoms +c =1 krypton-carbon potential +c =2 moliere potential +c =3 ziegler-biersack-littmark potential +c irl =0 no recoils are generated (no sputtering); to speed +c up the calculation if only ranges are of interest +c +c 3. record(for each of three layers) [102 format(3F9.2,6F7.2)] +c dx(i) layer thickness (in A) +c rho(i) layer density (in g cm{-3}) +c ck(i) correction factor to the lindhard-scharff nonlocal +c inelastic energy loss of the projectile +c +c records 4 - 14 appear three times for each of the three +c possible layers +c +c 4. record [103 format(5F9.4)] +c z(i,j) atomic number of target atoms (j<=5) in layer i +c +c 5. record [103 format(5F9.4)] +c m(i,j) mass (in amu) of target atoms (j<=5) in layer i +c +c 6. record [103 format(5F9.4)] +c c(i,j) concentration of target atoms (j<=5) in layer i +c +c 7. record [103 format(5F9.4)] +c sbe(i,j) surface binding energy of target atoms (j<=5) +c in layer i +c +c 8. record [103 format(5F9.4)] +c ed(i,j) displacement energy of target atoms (j<=5) in layer i +c +c 9. record [103 format(5F9.4)] +c be(i,j) bulk binding energy of target atoms (j<=5) in layer i +c usually always zero +c +c 10.-14.record constants for the nonlocal inelastic energy +c loss given by the andersen ziegler tables for +c hydrogen or by the ziegler tables for helium +c 10. record [107 format(5F12.6)] +c ch1(i,j) value A-1 of the ziegler tables +c 11. record [107 format(5F12.6)] +c ch2(i,j) value A-2 of the ziegler tables +c 12. record [107 format(5F12.6)] +c ch3(i,j) value A-3 of the ziegler tables +c 13. record [107 format(5F12.6)] +c ch4(i,j) value A-4 of the ziegler tables +c 14. record [107 format(5F12.6)] +c ch5(i,j) value A-5 of the ziegler tables +c +c +c +c additional remarks +c +c tt target thickness should be chosen larger than the +c range of projectiles if transmission is not of +c interest +c +c ed for sputtering and backscattering calculations ed is +c not of importance, only in determination of damage +c profiles. ed is of the order of 30 ev +c +c sheath a sheath potential is only used for a maxwellian +c distribution of projectiles (e0.lt.0.) +c +c ef for low projectile energies (lt 1000 ev) and esb=0. +c ef should be of the order of 0.2 ev. with increasing +c energy ef can be increased to save computing time, +c but not above sbe (for sputtering data) +c +c ca the use of ca.ne.1 is only reasonable for the +c application of the moliere potential +c +c ri with the same initial random number ri the calculation +c will be exactly reproduced if nothing has been changed +c +c esb this value is zero for the noble gases but esb should +c be larger than zero if the projectile is an active +c chemically species. esb=sbe for selfsputtering cal- +c culations +c +c be this value should be taken as zero (see j.p.biersack, +c w.eckstein appl.phys.34(1984)73) +c +c sbe the heat of sublimation should be used +c +c kk0 usually kk0=2 is used. only for very heavy particles +c kk0 may be increased to 3 or even 4 but on the ex- +c pense of increasing computing time +c +c kk0r the same applies as for kk0 +c +c kdee1 usually kdee1=3 is used. kdee1=1,2,or 3 can only be +c used at energies below the stopping power maximum. +c for hydrogen kdee1=4 must be used for projectile +c energies above 10 kev, for helium kdee1=5 must be +c used for energies above 50 kev +c +c kdee2 usually kdee2=3 is used. the stopping power maximum +c for heavy atoms is well above 100 kev, so that only +c kdee2=1,2,and 3 is available +c +c +c +c output data +c +c calculated constants +c in the case of a maxwellian distribution three values +c are given +c ti ion temperature +c zarg adjustment factor for the projectile mass +c velc adjustment factor for the sheath potential +c +c hlm distance above the surface (x=0.) , where an inelastic +c energy loss can be taken into account. usually +c hlm=0., but if inel.ne.0 then hlm=-.5*lm +c hlmt distance above the surface (x=tt) , where an inelastic +c energy loss can be taken into account. usually +c hlmt=tt, but if inel.ne.0 then hlmt=tt+0.5*lm +c su1 su=2.*pmax(1) +c su2 su=pmax(1)*(1.kk0) +c sur su=pmax(1)*(1.kk0r) +c su su=max(su1,su2,sur) , distance above the front surface, where +c collisions are taken into account +c sut sut=tt+su , su calculated with pmax(l) +c distance outside the backsurface, where +c collisions are taken into account +c xc xc=-su , starting point above the surface +c rt rt=tt-rd , see rd +c inel inel=0 : no electronic energy loss outside the bulk +c inel=1 : electronic energy loss outside the bulk for a +c distance 0.5*lm , see hlm and hlmt +c l number of layers +c lj number of target species +c +c values for each layer +c eps0(i) reduced projectile energy +c z2(i) mean atomic number of layer i +c m2(i) mean atomic mass of layer i +c arho(i) density (atoms/A**3}) +c lm(i) mean distance between collisions (A) +c pmax(i) maximum impact parameter (A) +c asig(i) constant for inelastic energy loss (atoms/A**2) +c sb(i) mean surface binding energy of layer i +c xx(i)target thickness (A) of layer i +c n(i) number of target species in layer i +c a1(i) screening length for projectiles +c kor1(i) constant in the local oen-robinson inelastic energy +c loss for projectiles +c a(i) screening length for target atoms +c kor(i) constant in the local oen-robinson inelastic energy +c loss for target atoms +c +cc f1 constant to transfer the energy of a projectile into +cc a reduced energy (eps) +cc f(i,j) constant to transfer the energy of a target atom into +cc a reduced energy (epsr) +cc ec maximum transferable energy between projectile and +cc target atom +c sfe minimum of the mean surface binding energies of +c first and last layer (l=3); for one layer (l=1) +c sfe=sb(1). sb(l) is the mean binding energy of layer (l) +c +c values giving information about some loops in the calculation +c nproj number how often the projectile loop is entered +c kib number of backscattered projectiles which cannot overcome +c the surface barrier (esb) +c kit number of transmitted projectiles which cannot overcome +c the surface barrier (esb) +c maxa maximum number of simultaneously processed target atoms +c in the vectorized target collision loop +c nall number of times the target atom collision loop has to +c be passed +c npa number of primary knockon atoms +c nsa number of secondary knockon atoms +c kis number of sputtered target atoms which cannot overcome +c the surface barrier (sbe) +c kist number of transmission sputtered target atoms which +c cannot overcome the surface barrier (sbe) +c +c +c calculated results +c +c iim number of transmitted projectiles +c eim energy of all transmitted projectiles +c ib number of reflected projectiles +c eb energy of all reflected projectiles +c it number of transmitted projectiles +c et energy of all transmitted projectiles +c ibsp number of backsputtered target atoms +c ebsp energy of all backsputtered target atoms +c itsp number of transmission sputtered target atoms +c etsp energy of all transmission sputtered target atoms +c +c projectiles +c avcsum mean number of collisions +c avcdis mean number of collisions +c (transferred energy > displacement energy) +c avcsms mean number of collisions +c (transferred energy > mean surface binding energy) +c +c penetration of projectiles +c +c fix0 mean penetration depth , 1. moment +c sex variance of the depth distribution +c thx skewness of the depth distribution +c fox kurtosis of the depth distribution +c sigmax square root of the variance +c dfix0 error of mean depth +c dsex error of the variance +c dthx error of the skewness +c +c fir0 mean lateral spread of the penetration +c ser variance of the spread distribution +c thr skewness of the spread distribution +c for kurtosis of the spread distribution +c sigmar square root of the variance +c dfir0 error of mean spread +c dser error of the variance +c dthr error of the skewness +c +c fip0 mean pathlength +c sep variance of the pathlength distribution +c thp skewness of the pathlength distribution +c fop kurtosis of the pathlength distribution +c sigmap square root of the variance +c dfip0 error of mean pathlength +c dsep error of the variance +c dthp error of the skewness +c +c avnli mean elastic loss +c vanli variance of the elastic loss distribution +c signli square root of the variance +c dfinli error in the mean elastic loss +c +c avili mean electronic loss +c vaili variance of the electronic loss distribution +c sigili square root of the variance +c dfiili error in the mean electronic loss +c +c fie0 mean nuclear energy loss +c see variance of the nuclear energy loss distribution +c the skewness of the nuclear energy loss distribution +c foe kurtosis of the nuclear energy loss distribution +c sigmae square root of the variance +c dfie0 error of mean nuclear energy loss +c dsee error of the variance +c dthe error of the skewness +c +c fiw0 mean nuclear energy loss in weak collisions +c sew variance +c thw skewness +c fow kurtosis +c sigmaw square root of the variance +c dfiw0 error of mean +c dsew error of the variance +c dthw error of the skewness +c +c fii0 mean electronic energy loss +c sei variance +c thi skewness +c foi kurtosis +c sigmai square root of the variance +c dfii0 error of mean +c dsei error of the variance +c dthi error of the skewness +c +c fis0 mean nuclear energy loss in subthreshold collisions +c ses variance +c ths skewness +c fos kurtosis +c sigmas square root of the variance +c dfis0 error of mean +c dses error of the variance +c dths error of the skewness +c +c x1sd 1.moment of the penetration depth distribution +c x2sd 2.moment of the penetration depth distribution +c x3sd 3.moment of the penetration depth distribution +c x4sd 4.moment of the penetration depth distribution +c x5sd 5.moment of the penetration depth distribution +c x6sd 6.moment of the penetration depth distribution +c +c recoiles created by recoils normalized to the number of +c projectiles (hn) +c acsumr mean number of collisions +c acdisr mean number of collisions +c (transferred energy > displacement energy) +c acsber mean number of collisions +c (transferred energy > mean surface binding energy) +c +c recoiles created by recoils normalized to the number of +c knockons (npa+nsa) +c acsur mean number of collisions +c acdir mean number of collisions +c (transferred energy > displacement energy) +c acsbr mean number of collisions +c (transferred energy > mean surface binding energy) +c acdr11 mean number of collisions between species 1 and 1 in +c layer 1 (transferred energy > displacement energy) +c acdr12 mean number of collisions between species 1 and 2 in +c layer 1 (transferred energy > displacement energy) +c acdr21 mean number of collisions between species 2 and 1 in +c layer 1 (transferred energy > displacement energy) +c acdr22 mean number of collisions between species 2 and 2 in +c layer 1 (transferred energy > displacement energy) +c +c depth distributions (projectiles) +c d1,d2 lower and upper limit of depth interval +c 100 intervals, in steps of cw (in A) +c irp(i) number of implanted projectiles in interval i +c , 'particles' +c rirp(i) implantation profile normalized to all implanted +c projectiles (norm.distr) , 'norm.depth' +c ipl(i) number of projectiles with pathlength in interval i +c , 'pathlength' +c ion(i) electronic energy loss (ev) , 'inloss' +c dent(i) total nuclear energy loss (ev), (central collision + +c weak collisions) , 'teloss' +c dmgn(i) nuclear energy loss (ev), (central collision only) +c , 'elloss' +c elgd(i) nuclear energy loss (ev) larger than the displacement +c energy ed (central collision only) , 'damage' +c phon(i) nuclear energy loss smaller than the displacement +c energy (ev), energy into phonons , 'phonon' +c casmot(i) defect producing energy (ev) (see biersack and +c haggmark nim 174 (1980) 257) , 'cascad' +c icdt(i) number of displacements (collisions gt ed) , 'dpa' +c ele(i,j) nuclear energy loss of projectile to species j +c (central collision only) +c eli(i,j) electronic energy loss of species j +c eld(i,j) nuclear energy loss larger than the displacement +c energy for projectiles to species j +c (central collision only) +c elp(i,j) nuclear energy loss lower than the displacement +c energy for species j (central collision only) +c icd(i,j) number of displacements of species j +c +c depth distributions (recoils) +c ionr(i) inelastic energy loss (ev) by target atoms , 'inloss' +c dentr(i) total nuclear energy loss (ev) , (central collision + +c weak collisions) , 'teloss' +c dmgnr(i) elastic energy loss (ev) by target atoms (central +c collisions only) , 'elloss' +c eler(i,j) nuclear energy loss of recoils to species j +c (central collision only) +c elir(i,j) electronic energy loss of species j +c eldr(i,j) nuclear energy loss larger than the displacement +c energy for species j (central collision only) +c elpr(i,j) nuclear energy loss lower than the displacement +c energy for species j (central collision only) +c icdr(i,j) number of displacements of species j +c icdiri(i,j,k) number of displacements of species k by species j +c +c the last line gives the sum over the distributions +c +c +c backscattered projectiles +c +c rn particle reflection coefficient +c emean mean energy of backscattered projectiles +c emeanr relative mean energy of backscattered projectiles +c re energy reflection coefficient +c +c fib0 mean energy of backscattered projectiles +c seb variance +c thb skewness +c fob kurtosis +c sigmab square root of the variance +c dfib0 error of mean +c dseb error of the variance +c dthb error of the skewness +c +c fipb0 mean pathlength of backscattered projectiles +c sepb variance +c tphb skewness +c fpob kurtosis +c sigmpb square root of the variance +c dfipb0 error of mean +c dsepb error of the variance +c dthpb error of the skewness +c +c avnlb mean elastic loss +c vanlb variance of the elastic loss distribution +c signlb square root of the variance +c dfinlb error in the mean elastic loss +c +c avilb mean electronic loss +c vailb variance of the electronic loss distribution +c sigilb square root of the variance +c dfiilb error in the mean electronic loss +c +c eb1b 1.moment of the energy distr. of backsc. proj. +c eb2b 2.moment of the energy distr. of backsc. proj. +c eb3b 3.moment of the energy distr. of backsc. proj. +c eb4b 4.moment of the energy distr. of backsc. proj. +c eb5b 5.moment of the energy distr. of backsc. proj. +c eb6b 6.moment of the energy distr. of backsc. proj. +c +c eb1bl 1.logarithmic moment of the energy distr. +c eb2bl 2.logarithmic moment of the energy distr. +c eb3bl 3.logarithmic moment of the energy distr. +c eb4bl 4.logarithmic moment of the energy distr. +c eb5bl 5.logarithmic moment of the energy distr. +c eb6bl 6.logarithmic moment of the energy distr. +c +c pl1s 1.moment of the pathlength distribution +c pl2s 2.moment of the pathlength distribution +c pl3s 3.moment of the pathlength distribution +c pl4s 4.moment of the pathlength distribution +c pl5s 5.moment of the pathlength distribution +c pl6s 6.moment of the pathlength distribution +c +c +c transmitted projectiles +c +c tn particle transmission coefficient +c emeant mean energy of transmitted projectiles +c tmeanr relative mean energy of transmitted projectiles +c te energy transmission coefficient +c +c fit0 mean energy of transmitted projectiles +c set variance +c tht skewness +c fot kurtosis +c sigmat square root of the variance +c dfit0 error of mean +c dset error of the variance +c dtht error of the skewness +c +c fipt0 mean pathlength of transmitted projectiles +c sept variance +c tpht skewness +c fpot kurtosis +c sigmpt square root of the variance +c dfipt0 error of mean +c dsept error of the variance +c dthpt error of the skewness +c +c avnlt mean elastic loss +c vanlt variance of the elastic loss distribution +c signlt square root of the variance +c dfinlt error in the mean elastic loss +c +c avilt mean electronic loss +c vailt variance of the electronic loss distribution +c sigilt square root of the variance +c dfiilt error in the mean electronic loss +c +c +c backsputtered target atoms (for each species j) +c +c ispa total sputtering yield +c espa total sputtered energy +c ispal(i) sputtering yield of layer i +c espal(i) sputtered energy of layer i +c spy(j) sputtering yield of species j +c spe(j) sputtered energy of species j +c rey(j) relative mean energy of sputtered target atoms +c emsp(j) mean energy of sputtered target atoms +c +c 4 different processes for sputtering +c ispip(j) number of primary knock-on atoms, ion in +c rip(j) fraction of primary knock-on atoms, ion in +c normalized to all sputtered atoms +c ripj(j) fraction of primary knock-on +c normalized to sputtered atoms of species j +c espip(j) energy of primary knock-on atoms, ion in +c reip(j) fraction of energy of primary knock-on atoms, ion in +c normalized to energy of all sputtered atoms +c reipj(j) fraction of energy of primary knock-on atoms, ion in +c normalized to energy of sputtered atom species j +c espmip(j) mean energy of process (pka, ion in) +c ispis(j) number of secondary knock-on atoms, ion in +c ris(j) fraction of secondary knock-on atoms, ion in +c normalized to all sputtered atoms +c risj(j) fraction of secondary knock-on atoms, ion in +c normalized to sputtered atoms of species j +c espis(j) energy of secondary knock-on atoms,ion in +c reis(j) fraction of energy of secondary knock-on atoms, ion in +c normalized to energy of all sputtered atoms +c reisj(j) fraction of energy of secondary knock-on atoms, ion in +c normalized to energy of sputtered atom species j +c espmis(j) mean energy of process (ska, ion in) +c ispop(j) number of primary knock-on atoms, ion out +c rop(j) fraction of primary knock-on atoms, ion out +c normalized to all sputtered atoms +c ropj(j) fraction of primary knock-on atoms, ion out +c normalized to sputtered atoms of species j +c espop(i) energy of primary knock-on atoms, ion out +c reop(j) fraction of energy of primary knock-on atoms, ion out +c normalized to energy of all sputtered atoms +c reopj(j) fraction of energy of primary knock-on atoms, ion out +c normalized to energy of sputtered atom species j +c espmop(j) mean energy of process (pka, ion out) +c ispos(j) number of secondary knock-on atoms, ion out +c ros(j) fraction of secondary knock-on atoms, ion out +c normalized to all sputtered atoms +c rosj(j) fraction of secondary knock-on atoms, ion out +c normalized to sputtered atoms of species j +c espos(j) energy of secondary knock-on atoms, ion out +c reos(j) fraction of energy of secondary knock-on atoms, ion out +c normalized to energy of all sputtered atoms +c reosj(j) fraction of energy of secondary knock-on atoms, ion out +c normalized to energy of sputtered atom species j +c espmos(j) mean energy of process (ska, ion out) +c +c fies0 mean energy of backsputtered target atoms +c sees variance +c thes skewness +c foes kurtosis +c sigmes square root of the variance +c dfies0 error of mean +c dsees error of the variance +c dthes error of the skewness +c +c ebsp1 1.moment of the energy distribution +c ebsp2 2.moment of the energy distribution +c ebsp3 3.moment of the energy distribution +c ebsp4 4.moment of the energy distribution +c ebsp5 5.moment of the energy distribution +c ebsp6 6.moment of the energy distribution +c +c ebsp1l 1.logarithmic moment of the energy distribution +c ebsp2l 2.logarithmic moment of the energy distribution +c ebsp3l 3.logarithmic moment of the energy distribution +c ebsp4l 4.logarithmic moment of the energy distribution +c ebsp5l 5.logarithmic moment of the energy distribution +c ebsp6l 6.logarithmic moment of the energy distribution +c +c +c transmission sputtered target atoms (for each species j) +c +c ispat total sputtering yield +c espat total sputtered energy +c ispalt(i) sputtering yield of layer i +c espalt(i) sputtered energy of layer i +c spyt(j) sputtering yield of species j +c spet(j) sputtered energy of species j +c reyt(j) relative mean energy of sputtered target atoms +c emspt(j) mean energy of sputtered target atoms +c +c 4 different processes for sputtering +c ispipt(j) number of primary knock-on atoms, ion in +c ript(j) fraction of primary knock-on atoms, ion in +c normalized to all sputtered atoms +c espipt(j) energy of primary knock-on atoms, ion in +c reipt(j) fraction of energy of primary knock-on atoms, ion in +c normalized to energy of all sputtered atoms +c espmipt(j) mean energy of process (pka, ion in) +c ispist(j) number of secondary knock-on atoms, ion in +c rist(j) fraction of secondary knock-on atoms, ion in +c normalized to all sputtered atoms +c espist(j) energy of secondary knock-on atoms,ion in +c reist(j) fraction of energy of secondary knock-on atoms, ion in +c normalized to energy of all sputtered atoms +c espmist(j) mean energy of process (ska, ion in) +c ispopt(j) number of primary knock-on atoms, ion out +c ropt(j) fraction of primary knock-on atoms, ion out +c normalized to all sputtered atoms +c espopt(i) energy of primary knock-on atoms, ion out +c reopt(j) fraction of energy of primary knock-on atoms, ion out +c normalized to energy of all sputtered atoms +c espmopt(j) mean energy of process (pka, ion out) +c ispost(j) number of secondary knock-on atoms, ion out +c rost(j) fraction of secondary knock-on atoms, ion out +c normalized to all sputtered atoms +c espost(j) energy of secondary knock-on atoms, ion out +c reost(j) fraction of energy of secondary knock-on atoms, ion out +c normalized to energy of all sputtered atoms +c espmost(j) mean energy of process (ska, ion out) +c +c +c angular distributions +c +c a(i) 20 equal cosine intervals of the polar exit angle +c kadb(i) number of reflected projectiles in interval i +c rkadb(i) fraction of reflected projectiles in interval i +c kadt(i) number of transmitted projectiles in interval i +c rkadt(i) fraction of transmitted projectiles in interval i +c kads(i) number of all sputtered target atoms in interval i +c rkads(i) fraction of all sputtered target atoms in interval i +c kadsl(i,j) number of sputtered atoms from layer j in interval i +c rkadsl(i,j) fraction of sputtered atoms from layer j in interval i +c kadsj(i,j) number of sputtered species j in interval i +c rkadsj(i,j) fraction of sputtered species j in interval i +c kadst(i) number of all transmission sputtered atoms in interval i +c rkadst(i) fraction of all transm. sputtered atoms in interval i +c kdstl(i,j) number of transm. sputtered atoms from layer j in interval i +c rkdslt(i,j) fraction of transm. sputtered atoms from layer j in interval i +c kdstj(i,j) number of transm. sputtered species j in interval i +c rkdstj(i,j) fraction of transm. sputtered species j in interval i +cc kadrip(i) number of sputtered primary knock-on atoms, ion in +cc rkdrip(i) fraction of sputtered primary knock-on atoms, ion in +cc kadris(i) number of sputtered secondary knock-on atoms, ion in +cc rkdris(i) fraction of sputtered secondary knock-on atoms, ion in +cc kadrop(i) number of sputtered primary knock-on atoms, ion out +cc rkdrop(i) fraction of sputtered primary knock-on atoms, ion out +cc kadros(i) number of sputtered secondary knock-on atoms, ion out +cc rkdros(i) fraction of sputtered secondary knock-on atoms, ion out +c +c +c 2- and 3-dimensional distributions +c +c the first row and the first column give the upper limit of +c the interval +c the last row gives the sum over the columns and +c the last column gives the sum over the rows +c the matrix-output is only given , if more than 10000 particles +c are sputtered, reflected or transmitted +c +c backsputtered target atoms +c +c meas(i,j,k) number of sputtered target atoms versus energy +c (column) and polar emission angle (row) +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval j: cosine interval of 0.05, +c 20 intervals +c 10 target species k (2 layers) +c in the last interval (99-100 ev) all sputtered +c target atoms with energies above 100 ev are +c included +c dimension : meas(102,22,10) +c +c mease(i,j,k) number of sputtered target atoms versus energy +c (column) and polar emission angle (row) +c energy interval i: 1 ev , 100 intervals +c polar angle interval j: cosine interval of 0.05, +c 20 intervals +c 10 target species k (2 layers) +c in the last interval (99-100 ev) all sputtered +c target atoms with energies above 100 ev are +c included +c dimension : meas(102,22,10) +c +c magsa(i,j,k) number of sputtered target atoms versus azimuthal +c (column) and polar (row) emission angles +c azimuthal angle interval i: 3 deg, 60 intervals +c polar angle interval j: 3 deg, 30 intervals +c 10 target species k (2 layers) +c dimension : magsa(62,32,10) +c +c measl(i,j,k) number of sputtered target atoms versus energy +c (column) and polar emission angle (row) +c energy interval i: a decade is divided into 12 +c equal logarithmic intervals from 0.1 to 10**5 ev +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c 10 target species k (2 layers) +c the last column gives the number of sputtered +c atoms per ev, solid angle, and projectile +c dimension : measl(75,21,10) +c +c easl(i,j) logarithmic energy distribution (intensity per +c logarithmic energy interval) +c energy interval i: a decade is divided into 12 +c equal logarithmic intervals from 0.1 to 10**5 ev +c 10 target species j (2 layers) +c dimension : easl(75,10) +c +c meags(i,j,k,l) number of sputtered target atoms versus energy +c (column), polar (row) and azimuthal (matrix) +c emission angles +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval k: cosine interval of 0.05, +c 20 intervals +c azimuthal angle interval j: 15 deg, 12 matrices +c 10 target species l (2 layers) +c these matrices are not calculated, if the angle +c of incidence, alpha, is smaller than 1 deg +c dimension : meags(102,12,22,10) +c +c mags(i,j,k) number of sputtered target atoms versus azimu- +c thal (column) and polar (row) emission angles +c dimension : mags(62,22,10) +c +c transmission sputtered target atoms +c +c meast(i,j,k) number of sputtered target atoms versus energy +c (column) and polar emission angle (row) +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval j: cosine interval of 0.05, +c 20 intervals +c 10 target species k (2 layers) +c in the last interval (99-100 ev) all sputtered +c target atoms with energies above 100 ev are +c included +c dimension : meast(102,22,10) +c +c meastl(i,j,k) number of sputtered target atoms versus energy +c (column) and polar emission angle (row) +c energy interval i: a decade is divided into 12 +c equal logarithmic intervals from 0.1 to 10**5 ev +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c 10 target species k (2 layers) +c the last column gives the number of sputtered +c atoms per ev, solid angle, and projectile +c dimension : meastl(75,21,10) +c +c eastl(i,j) logarithmic energy distribution (intensity per +c logarithmic energy interval) +c energy interval i: a decade is divided into 12 +c equal logarithmic intervals from 0.1 to 10**5 ev +c 10 target species j (2 layers) +c dimension : eastl(75,10) +c +c magst(i,j,k) number of sputtered target atoms versus azimu- +c thal (column) and polar (row) emission angles +c dimension : magst(62,22,10) +c +c backscattered projectiles +c +c meab(i,j) number of backscattered projectiles versus +c energy (column) and polar emission angle (row) +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval j: cosine interval of 0.05, +c 20 intervals +c dimension : meab(102,22) +c +c meabl(i,k) number of backscattered projectiles versus +c energy (column) and polar emission angle (row) +c energy interval i: a decade is divided into 12 +c equal logarithmic intervals from 0.1 to 10**5 ev +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c dimension : meabl(75,21) +c +c meagb(i,j,k) number of backscattered projectiles versus +c energy (column), polar (row) and azimuthal +c (matrix) emission angles +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval k: cosine interval of 0.05, +c 20 intervals +c azimuthal angle interval j: 15 deg, 12 matrices +c 10 target species l (2 layers) +c these matrices are not calculated, if the angle +c of incidence, alpha, is smaller than 1 deg +c dimension : meagb(102,12,22) +c +c magb(i,j) number of backscattered projectiles versus +c azimuthal (column) and polar (row) emission +c angles +c azimuthal angle interval i: 3 deg, 60 intervals +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c dimension : magb(62,22) +c +c ema(i,j) backscattered energy versus azimuthal (column) +c and polar (row) emission angles +c azimuthal angle interval i: 3 deg, 60 intervals +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c dimension : ema(62,22) +c +c mepb(i,j) number of backscattered projectiles versus +c energy (column) and pathlength (row) +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c pathlength interval j: cw , 100 intervals +c dimension : mepb(102,102) +c +c transmitted projectiles +c +c meat(i,j) number of transmitted projectiles versus +c energy (column) and polar emission angle (row) +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval j: cosine interval of 0.05, +c 20 intervals +c dimension : meat(102,22) +c +c meatl(i,k) number of transmitted projectiles versus +c energy (column) and polar emission angle (row) +c energy interval i: a decade is divided into 12 +c equal logarithmic intervals from 0.1 to 10**5 ev +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c dimension : meatl(75,21) +c +c meatb(i,j,k) number of transmitted projectiles versus +c energy (column), polar (row) and azimuthal +c (matrix) emission angles +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c polar angle interval k: cosine interval of 0.05, +c 20 intervals +c azimuthal angle interval j: 15 deg, 12 matrices +c 10 target species l (2 layers) +c these matrices are not calculated, if the angle +c of incidence, alpha, is smaller than 1 deg +c dimension : meatb(102,12,22) +c +c magt(i,j) number of transmitted projectiles versus +c azimuthal (column) and polar (row) emission +c angles +c azimuthal angle interval i: 3 deg, 60 intervals +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c dimension : magt(62,22) +c +c emat(i,j) transmitted energy versus azimuthal (column) +c and polar (row) emission angles +c azimuthal angle interval i: 3 deg, 60 intervals +c polar angle interval j: cosine intervals of 0.05, +c 20 intervals +c dimension : emat(62,22) +c +c mept(i,j) number of transmitted projectiles versus +c energy (column) and pathlength (row) +c energy interval i: 1% of the projectile energy e0, +c 100 intervals +c pathlength interval j: cw , 100 intervals +c dimension : mept(102,102) +c +c +c remarks +c the matrix output is in most cases only reasonable for a large +c number of histories (nh.gt.10**5) +c +c +c data on disc (fort.17) , unformatted +c +c z1,m1,e0,alpha,ef,esb,sheath +c ,nh,ri,x0,rd,cw,ca,kk0,kk0r,kdee1,kdee2 +c (dx(i),i=1,3),(rho(i),i=1,3),(ck(i),i=1,3) +c ,((zt(i,j),j=1,5),i=1,3),((mt(i,j),j=1,5),i=1,3) +c ,((co(i,j),j=1,5),i=1,3),((sbe(i,j),j=1,5),i=1,3) +c ,((ed(i,j),j=1,5),i=1,3),((be(i,j),j=1,5),i=1,3) +c ti,zarg,velc +c ,hlm,hlmt,su,sut,xc,rt,inel,l,lj +c ,nproj,kib,kit,maxa,nall,npa,nsa,kis,kist +c ,iim,eim,ib,eb,it,et,ispa,espa,ispat,espat +c ,fix0,sex,thx,fox,sigmax,dfix0,dsex,dthx +c ,fir0,ser,thr,for,sigmar,dfir0,dser,dthr +c ,fip0,sep,thp,fop,sigmap,dfip0,dsep,dthp +c ,avnli,vanli,signli,dfinli +c ,avili,vaili,sigili,dfiili +c avcsum,avcdis +c ,fie0,see,the,foe,sigmae,dfie0,dsee,dthe +c ,fiw0,sew,thw,fow,sigmaw,dfiw0,dsew,dthw +c ,fii0,sei,thi,foi,sigmai,dfii0,dsei,dthi +c ,fis0,ses,ths,fos,sigmas,dfis0,dses,dths +c ,iirp,trirp,iipl,tion,tdmgn,tcasmo,tphon,tdent +c rn,re,emeanr,emean,tn,te,tmeanr,emeant +c ,fib0,seb,thb,fob,sigmab,dfib0,dseb,dthb +c ,fipb0,sepb,thpb,fopb,sigmpb,dfipb0,dsepb,dthpb +c ,avnlb,vanlb,signlb,dfinlb +c ,avilb,vailb,sigilb,dfiilb +c fit0,set,tht,fot,sigmat,dfit0,dset,dtht +c ,fipt0,sept,thpt,fopt,sigmpt,dfipt0,dsept,dthpt +c ,avnlt,vanlt,signlt,dfinlt +c ,avilt,vailt,sigilt,dfiilt +c (irp(i),i=0,100),(rirp(i),i=0,100) +c ,(ipl(i),i=1,100),(ion(i),i=1,100),(dmgn(i),i=1,100) +c ,(casmot(i),i=1,100),(phon(i),i=1,100),(dent(i),i=1,100) +c (fiesb(j),j=1,10),(seesb(j),j=1,10),(thesb(j),j=1,10) +c ,(foesb(j),j=1,10),(sgmesb(j),j=1,10) +c ,(dfiesb(j),j=1,10),(dseesb(j),j=1,10) +c ,(dthesb(j),j=1,10) +c ((ele(i,j),j=1,15),i=1,100),((eli(i,j),j=1,15),i=1,100) +c ,((elp(i,j),j=1,15),i=1,100) +c ,(elet(j),j=1,15),(elit(j),j=1,15),(elpt(j),j=1,15) +c (ai(i),i=1,20),(kadb(i),i=1,20),(kadt(i),i=1,20) +c ,(rkadb(i),i=1,20),(rkadt(i),i=1,20) +c (kads(i),i=1,20),(kadst(i),i=1,20) +c ,(rkads(i),i=1,20),(rkadst(i),i=1,20) +c ((kadrip(i,j),j=1,10),i=1,20) +c ,((kadris(i,j),j=1,10),i=1,20) +c ,((kadrop(i,j),j=1,10),i=1,20) +c ,((kadros(i,j),j=1,10),i=1,20) +c ((KAdsj(i,j),j=1,10),i=1,20) +c ,((rkadsj(i,j),j=1,10),i=1,20) +c ,((kadsl(i,j),j=1,2),i=1,20) +c ,((kkadsl(i,j),j=1,2),i=1,20) +c ((kdstj(i,j),j=1,10),i=1,20) +c ,((rkdstj(i,j),j=1,10),i=1,20) +c ,((kdstl(i,j),j=1,2),i=1,20) +c ,((rkdstl(i,j),j=1,2),i=1,20) +c (ibsp(i),i=1,15),(ebsp(i),i=1,15) +c ,(spy(i),i=1,15),(spe(i),i=1,15) +c ,(rey(i),i=1,15),(emsp(i),i=1,15) +c ,(ispal(i),i=1,3),(espal(i),i=1,3) +c (ispip(i),i=1,15),(ispis(i),i=1,15) +c ,(ispop(i),i=1,15),(ispos(i),i=1,15) +c ,(espip(i),i=1,15),(espis(i),i=1,15) +c ,(espop(i),i=1,15),(espos(i),i=1,15) +c ,(rip(i),i=1,15),(ris(i),i=1,15) +c ,(rop(i),i=1,15),(ros(i),i=1,15) +c ,(reip(i),i=1,15),(reis(i),i=1,15) +c ,(reop(i),i=1,15),(reos(i),i=1,15) +c (itsp(i),i=1,15),(etsp(i),i=1,15) +c ,(spyt(i),i=1,15),(spet(i),i=1,15) +c ,(reyt(i),i=1,15),(emspt(i),i=1,15) +c ,(ispalt(i),i=1,3),(espalt(i),i=1,3) +c (ispipt(i),i=1,15),(ispist(i),i=1,15) +c ,(ispopt(i),i=1,15),(ispost(i),i=1,15) +c ,(espipt(i),i=1,15),(espist(i),i=1,15) +c ,(espopt(i),i=1,15),(espost(i),i=1,15) +c ,(ript(i),i=1,15),(rist(i),i=1,15) +c ,(ropt(i),i=1,15),(rost(i),i=1,15) +c ,(reipt(i),i=1,15),(reist(i),i=1,15) +c ,(reopt(i),i=1,15),(reost(i),i=1,15) +c ((meab(i,j),j=1,22),i=1,102) +c ,((magb(i,j),j=1,22),i=1,62) +c ,(((meagb(i,j,k),k=1,22),j=1,36),i=1,102) +c ,((ema(i,j),j=1,22),i=1,62),(elog(i),i=1,75) +c ,(eabl(i),i=1,75),((meabl(i,j),j=1,21),i=1,75) +c ,((mepb(i,j),j=1,102),i=1,102) +c ((meat(i,j),j=1,22),i=1,102) +c ,((magt(i,j),j=1,22),i=1,62) +c ,(((meagt(i,j,k),k=1,22),j=1,36),i=1,102) +c ,((emat(i,j),j=1,22),i=1,62) +c ,(eatl(i),i=1,75),((meatl(i,j),j=1,21),i=1,75) +c ,((mept(i,j),j=1,102),i=1,102) +c (((meas(i,j,k),k=1,10),j=1,22),i=1,102) +c ,(((mags(i,j,k),k=1,10),j=1,22),i=1,62) +c ,((easl(i,j),j=1,10),i=1,75) +c ,(((measl(i,j,k),k=1,10),j=1,21),i=1,75) +c (((meast(i,j,k),k=1,10),j=1,22),i=1,102) +c ,(((magst(i,j,k),k=1,10),j=1,22),i=1,62) +c ,((eastl(i,j),j=1,10),i=1,75) +c ,(((meastl(i,j,k),k=1,10),j=1,21),i=1,75) +c ((((meags(i,j,k,mn),mn=1,10),k=1,22),j=1,12),i=1,102) +c ,(((magsa(i,j,k),k=1,10),j=1,32),i=1,62) +CC ,((((MEAGST(I,J,K,L),L=1,10),K=1,22),J=1,36),I=1,102) +c ((eld(i,j),i=1,100),j=1,15) +c xsum,x2sum,x3sum,x4sum,x5sum,x6sum +c eb,eb2sum,eb3sum,eb4sum,eb5sum,eb6sum +c ,eb1sul,eb2sul,eb3sul,eb4sul,eb5sul,eb6sul +c (ebsp(j),j=1,15),(spe2s(j),j=1,15),(spe3s(j),j=1,15) +c ,(spe4s(j),j=1,15),(spe5s(j),j=1,15),(spe6s(j),j=1,15) +c (spe1sl(j),j=1,15),(spe2sl(j),j=1,15),(spe3sl(j),j=1,15) +c ,(spe4sl(j),j=1,15),(spe5sl(j),j=1,15) +c ,(spe6sl(j),j=1,15) +c ((icd(i,j),j=1,15),i=1,100),((icdr(i,j),j=1,15),i=1,100) +c (((icdiri(i,j,k),k=1,15),j=1,15),i=1,100) +c ,((icdirn(i,j),j=1,15),i=1,100) +c exi1s,exi2s,exi3s,exi4s,exi5s,exi6s +c ,coss1s,coss2s,coss3s,coss4s,coss5s,coss6s +c ibl,(ibsp(i),i=1,15) +