Re: [Wien] Please help me

2014-02-07 Thread kalsoom Khan
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

[Wien] Please help me

2014-02-06 Thread kalsoom Khan
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___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

Re: [Wien] Please help me

2014-02-06 Thread tran
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:

[Wien] Please help me

2013-11-16 Thread kalsoom Khan
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 ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] Please help me

2013-11-16 Thread Gavin Abo
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

[Wien] Please Help me!

2012-02-28 Thread rang sabz
Dear Wien Developers/ Mailing List Orgnaizers, I have tried so many times to subscrib and recive from e-mails of mailing list, but I just recive an e-mails as following context, all the times: Send Wien mailing list submissions to wien at zeus.theochem.tuwien.ac.at To subscribe or

[Wien] please help me

2011-04-23 Thread hossien rahnama
vahediha...@yahoo.com To: wien at zeus.theochem.tuwien.ac.at Sent: Tue, April 19, 2011 10:38:59 PM Subject: [Wien] please help me What can I do for investigating of system on antiferimagnetic state? -- next part -- An HTML attachment was scrubbed... URL: http

[Wien] please help me

2011-04-19 Thread Hasti Vahedi
What can I do for investigating of system on antiferimagnetic state? -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110419/c32677fe/attachment.htm