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
