[Pw_forum] Problem with startingpot

Paolo Giannozzi p.giannozzi at gmail.com
Mon Aug 31 19:00:35 CEST 2015


"When everything else fails, read the manual". The allowed values for
startingpot are 'atomic' and 'file' (no, not 'the name of some specific
file', just 'file'):

               'atomic': starting potential from atomic charge superposition
                         ( default for scf, *relax, *md )

               'file'  : start from existing "charge-density.xml" file in
the
                         directory specified by variables "prefix" and
"outdir"
                         For nscf and bands calculation this is the default
                         and the only sensible possibility.

Being all for now, I await a reply
>

... and we all await your signature

Paolo

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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