Thanks.
On Sun, May 10, 2015 at 8:56 PM, Gavin Abo <gs...@crimson.ua.edu> wrote: > Yes, the x_lapw script automatically detects whether to use -c or not. So > for any subroutine that you call with 'x' in front of it like 'x lapw2' [ > http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07747.html > ]. > > On 5/10/2015 8:19 PM, Yundi Quan wrote: > >> 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. >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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