[Pw_forum] projwfc.x

[Giovanni Cantele]

On Apr 12, 2013, at 11:35 AM, Sakhrawi Taoufek wrote:

> Dear all,
> i use the same for pdos calculation with projwfc.x, it works with espresso-4.3.2 but not with espresso-5.0.1 with the error message : 
> 
>      Error in routine projwfc (1):      reading projwfc namelist
> 
> my input is : 
>   &inputpp
>     prefix='fe',
>     outdir='$outdir',
>     degauss=0.01,
>     Emin=2.0,  Emax=22.0, DeltaE=0.1, smoothing=0.3,
> /
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum


The name of the namelist read from some post-processing tools has been changed (for better clarity) in the more recent versions.

Replace 
&inputpp
with
&PROJWFC


You can find more information in
espresso-5.0.1/PP/Doc/INPUT_PROJWFC.txt


Giovanni

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Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
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