Set A1=A2 for carbon (A1=0 before leading to wrong stop distributions).

Thanks to Francis Pratt and Elvezio.
This commit is contained in:
prokscha 2005-03-17 08:21:53 +00:00
parent 8e07c1a27c
commit d1a54adc4a

View File

@ -3,7 +3,7 @@
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
C 2.60100 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