[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