[Pw_forum] files for PP and guess

[Paolo Giannozzi]

On Sep 3, 2008, at 12:52 , anna.ferrari at unito.it wrote:

> 1) for post-processing which files i need (that i should
> copy back from the scratch)?

the directory $prefix.save/ in $outdir, plus, if variable
$wf_collect is not set to true, wavefunction files $prefix.wfc*.

>     (i'm used to other codes where a unique file is
> produced at the end of the run useful for properties
> and restart)

some like it that way. By using tar or zip, you can always
reduce to a single file.

> 2) if i want for instance a new scf  calculation with a
> better ecutrho, can i read a guess form a previuos (worse)
> calculation?

no, this is currently not implemented (I think)

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222