Thanks sir F. Tran.
Please sir could you help me to provide the email address of any specialist who
can work here in Europe. So that i should contact with him/her for GW method.
With best regards
Kalsoom
On Thursday, February 6, 2014 1:38 PM, t...@theochem.tuwien.ac.at
Dear All
Please some one help me that can i do calculation using GW method in Wien2k. If
yes then how please help me.
with best regards
Kalsoom___
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There is no GW module officially included in WIEN2k, but a separate
GW code being developed by Mr. Hong Jiang:
http://www.chem.pku.edu.cn/jianghgroup/codes/fhi-gap.html
Be aware that GW calculations require important computational ressources.
F. Tran
On Thu, 6 Feb 2014, kalsoom Khan wrote:
Dear All
In the attachment there is CIF file, i want to run the SCF but i failed, so
please some one help me that whats the problem.
with regards
K.K khan
413880.cif
Description: x-unknown/cif
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Did you enter the structure correctly into Wien2k for the R-3 spacegroup
[http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05100.html]?
Note: If you do cif2struct, setrmt, and save the structure in StructGen,
then you should see an incorrect structure with atoms overlapping in
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Subject: [Wien] please help me
What can I do for investigating of system on antiferimagnetic state?
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