87 Dresden
Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Md. Fhokrul
Islam [fis...@hotmail.com]
Gesendet: Dienstag, 7. März 2017 12:21
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] lapwsopara error
Hi Gavin,
You are right, there a
:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of
Peter Blaha <pbl...@theochem.tuwien.ac.at>
*Sent:* Monday, March 6, 2017 9:54 AM
*To:* A Mailing list for WIEN2k users
*Subject:* Re: [Wien] lapwsopara error
Only you can find the real reason for this problem.
You are saying
:* Re: [Wien] lapwsopara error
Only you can find the real reason for this problem.
You are saying that you can find all 9*2 lapw1 calculations worked ?
Check
ls -als *scf1*
ls -als *energy*
ls -als *vector* (are you using SRCATCH ?, the search for the vector
files in the corresponding scratch
arch 6, 2017 8:07 AM
*To:* A Mailing list for WIEN2k users
*Subject:* Re: [Wien] lapwsopara error
From your description, it seems you changed only the case.inso but you
did not do a full SO initialisation (symmetso, kgen, etc.), did you ?
By the way, calculation of magnetic anisotropy is a mat
ndet: Sonntag, 5. März 2017 22:14
An: A Mailing list for WIEN2k users
Betreff: [Wien] lapwsopara error
Hi Prof Blaha and Wien2k users,
I am trying to do anisotropy calculation of some magnetic impurities in bulk
Sb2Se3 topological
insulator using force theorem. It works fine if I chose magnetization
06.03.2017 01:14, Md. Fhokrul Islam wrote:
I am trying to do anisotropy calculation of some magnetic impurities in
bulk Sb2Se3 topological
insulator using force theorem. It works fine if I chose magnetization
axis in the xy-plane (1 1 0 in
case.inso file) but it crashes when magnetization is
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