[Wien] complex

Yundi Quan quanyundi at gmail.com
Mon May 11 04:19:15 CEST 2015


Hi,
For crystal structures without inversion symmetry, the complex option -c
has to be used. Does the individual subroutines (such as lapw0, lapw1, and
lapw2) of WIEN2k automatically detect whether to use -c or not? After scf
calculation, I run x lapw1 without the -c option for a crystal with broken
inversion symmetry. It didn't give any error messages or even warnings.
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