Dear QE users I am calculating the elastic constants of a binary alloy. when the cell parameter is
6.78 0 0 0 6.78 0 0 0 6.89 there is no problem, but when I change the cell parameter as the following I run out of memory. 6.85 0 -.03 0 6.85 -.03 -.03 -.03 6.76 Except the mentioned cell parameters everything else is the same in both inputs. Why is this happening? Bests Masoud Rahbar Niazi Tarbiat Modares University
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
