[Wien] (no subject)

Gavin Abo gsabo at crimson.ua.edu
Fri Aug 29 22:42:17 CEST 2014

> Please some one send me the commands for calculating the 
> anti-ferromagnetic calculation.
> i did these steps
> did initialization
> did changes
> case.inst

The commands are given in section "4.5.4 Antiferromagnetic (AFM) 
calculations" of the Wien2k 13.1 usersguide [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].

> but when i give the command
> runafm_lapw -p -orb -ec 0.00001
> stop error
> case.inclmcopy files not found.
> please guide me where is the problem..

It seems to be telling you exactly what the problem is, which is that it 
cannot find the file called case.inclmcopy.  In section "9.6 clmcopy" of 
the Wien2k userguide, it tells you that case.inclmcopy is created by "x 
afminput", which most likely means that you forgot to accept this step 
(by entering y to "do you want to perform an antiferromagnetic 
calculation ?") during the initialization (initialize calc. in w2web or 
init_lapw).  If the problem is not caused by that, then you need to 
determine why "x afminput" has failed to create the file (bad input? 
using old buggy Wien2k version? bad compile? ran out of disk space? etc.).

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