No.
The SO effect is calculated self-consistently from dV/dr ,
so there is no "element specific-SO-cc" in the code.
(Of course, one could probably estimate this from the potential).
On 11/04/2013 08:49 AM, Santu Baidya wrote:
Dear wien2k users,
I am using wien2k version "WIEN2k_12.1" to do spin-orbit caluclation
with GGA exchange-correlation functional. Could any one please tell me
if it is possible to get the value of "spin-orbit coupling constant" in
wien2k.
Thanks in advance,
Santu Baidya
SRF, CMPMS
SNBNCBS
*"The happiest people do not always have the best of all,* * they simply
appreciate what they find on their way!!!" SANTU
*
_______________________________________________
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
--
P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WWW:
http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------
_______________________________________________
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
