C----------------------------------------------------------------------- C To extract real or reciprocal cell parameters from the metric C tensor G into ABC and ANG C----------------------------------------------------------------------- SUBROUTINE PARAMS (G,ABC,ANG) DIMENSION G(3,3),ABC(3),ANG(3) DEG = 57.2958 DO 100 I = 1,3 ABC(I) = SQRT(G(I,I)) 100 CONTINUE P = G(2,3)/(ABC(2)*ABC(3)) Q = SQRT(1.0 - P*P) ANG(1) = DEG*ATAN2(Q,P) P = G(1,3)/(ABC(1)*ABC(3)) Q = SQRT(1.0 - P*P) ANG(2) = DEG*ATAN2(Q,P) P = G(1,2)/(ABC(1)*ABC(2)) Q = SQRT(1.0 - P*P) ANG(3) = DEG*ATAN2(Q,P) RETURN END