[Wien] Error in det_lat_NSM(): the special conditions not satisfied

B. Yanchitsky yan at im.imag.kiev.ua
Wed Feb 1 16:38:15 CET 2012


Ghosh SUDDHASATTWA wrote:
> Dear Wien2k users, 
> 
> I have been working on a monoclinic system. I tried to find equivalent
> structures using the Bilbao Crystallographic Server. One of the structures
> generated gives the following error when I do init_lapw from command line (
> not from w2web) (latest version of Wien2k is being used). 
> 
>  
> 
>>   sgroup      (19:25:19) Error in det_lat_NSM(): the special conditions
> not sa
> 
> tisfied.
> 

The error is severe, post your structure file, privately
(to yan at imag.kiev.ua ) or to the mail-list.


-- 
Bogdan Yanchitsky
Institute of Magnetism
Vernadsky Blvd., 36-b
03142  Kiev
UKRAINE

Telephone: +38044-424-3420
Fax: +38044-424-1020


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