[Wien] mini error
    Ghosh SUDDHASATTWA 
    ssghosh at igcar.gov.in
       
    Mon Jun 27 15:18:05 CEST 2011
    
    
  
Dear Wien2k users, 
I got the following error when using the command min -j 'run_lapw -I -i 200
-fc 1.0 -p'
'FUNC' -  stop_ifnc_gt_ipo       
 
The case.inM was 
NEW1 0.05 0.35      # PORT/NEWT;  tolf, Initial Trust Radius
0.0 0.0 1.0 1.0   #Atom    1 Generated by pairhess
0.0 0.0 1.0 1.0   #Atom    2 Generated by pairhess
0.0 0.0 1.0 1.0   #Atom    3 Generated by pairhess
 
When I changed the case.inM file to 
NEW1 0.1 0.35      # PORT/NEWT;  tolf, Initial Trust Radius
0.0 0.0 1.0 1.0   #Atom    1 Generated by pairhess
0.0 0.0 1.0 1.0   #Atom    2 Generated by pairhess
0.0 0.0 1.0 1.0   #Atom    3 Generated by pairhess
 
It works fine.
 
Can anybody suggest the meaning of the error. 
SGhosh
 
 
 
 
 
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110627/f3662445/attachment-0001.htm>
    
    
More information about the Wien
mailing list