[Wien] spin polarized optical calculations with so
Chukwuemeka Okoye
okoyecmi at yahoo.com
Wed Jul 21 13:35:01 CEST 2004
Dear Wien users,
I am calculating optical properties including spin polarization and spin-orbit using about 10,000k-points in the IBZ using Wien2k_04. I have followed the procedure in the UG. I successfully executed
x optic -c -up -so
However the file *.outmatup did not give expected values.
I have attached a few lines of the *.ooutmatup file.
Please , I am looking forward to your kind assistance
C M I Okoye
Chukwuemeka M. I. Okoye,
Department of Physics and Astronomy,
University of Nigeria,Nsukka,
Enugu State,NIGERIA
234-042-771611
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040721/2545e870/attachment.html
-------------- next part --------------
A non-text attachment was scrubbed...
Name: outmatup
Type: application/octet-stream
Size: 1106 bytes
Desc: outmatup
Url : http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040721/2545e870/outmatup.obj
More information about the Wien
mailing list