[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

 

 

 

 

 

 

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