[Pw_forum] Is it necessary to clear outdir / wfcdir

[Gabriele Sclauzero]

If you do a "nscf" calculation you will need data produced in a previous "scf" run (irrespective of restart_mode), 
therefore you must specify the correct outdir and prefix.
If you specify wrong values, of course that the results will be affected. In some cases the calculation will give an error message.

Please sign your posts and provide your affiliation. Thanks.


GS

Il giorno 08/set/2011, alle ore 09.00, WF ha scritto:

> In my calculation restart_mode="from_scratch" is always used. But I find if
> a calculation ends with error, it will give different errors depends on the
> whether the outdir is empty or not. So I wonder whether it affect the
> calculation results.
> 
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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