[Wien] error in LAPWdm in GGA+U approach

Gavin Abo gsabo at crimson.ua.edu
Mon Apr 18 13:56:36 CEST 2016


You mentioned that you are using WIEN2k 13.1.  Try WIEN2k 14.2 + the 
fixes to it described in the mailing list.  See if the patched WIEN2k 
14.2 fixes the problem or not. Refer to clmchange.patch and 
symmetso.patch at:

https://github.com/gsabo/WIEN2k-Patches/blob/master/14.2/README

On 4/18/2016 2:02 AM, mitra narimani wrote:
> Hi dear Gavin abo
> I sent for you 3 email including case.inso and case.struct and version
> of wien which I run with, but you did not any reply. please help and
> guid me about this error


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