[Wien] (no subject)

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Oct 4 12:00:00 CEST 2005


Small changes are most likely no problem and could be done during run_lapw, 
larger changes could lead to instabilities. 
Note, however, that the "history" (the *broyd* files) will be deleted 
automatically anyway on several occasions by mixer.
> 
> Dear all
>   When the convergency is got difficultly and the mixer factor is changed,
> do I have to restart the iteration with the script" run_lapw"?
>                                             bestwishes
> 
> 
> 
> 
> 
> 
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                                      P.Blaha
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