[Wien] WARNING : Please restart anew from final position
Kakhaber Jandieri
Kakhaber.Jandieri at physik.uni-marburg.de
Thu Jan 20 19:30:36 CET 2011
Dear Wien2k users,
Using "mini" I see the following message:
> stop
> mini (00:43:49) 0.880u 0.060s 0:01.25 75.2% 0+0k 0+4024io 0pf+0w
:WARNING Please restart anew from final position
> stop forces small, minimization stopped
> relaxation steps summarized in Surface-GaAs-2N-b.scf_mini
> relaxed structure and results in Surface-GaAs-2N-b.struct, scf, clmsum
> please use save_lapw save_file_name to save the results
Could you explain what is the meaning of
"WARNING Please restart anew from final position"?
I found a similar question in mailing list (Ghosh SUDDHASATTWA, /Sat Jul 24 05:54:54 CEST 2010) but unfortunately without any replied suggestions.
Beforehand thankful,
Kakhaber Jandieri
/
More information about the Wien
mailing list