[Pw_forum] bands.data
Layla Martin-Samos
lmartinsamos at gmail.com
Thu Sep 20 18:41:25 CEST 2012
Dear Yusuf, this error means that the program is not finding something he
needs! take a look at the paths and the files produced by the precedent
pw.x calculation and control that evrything is in the right place.
best regards
Layla
2012/9/20 Yusuf Zuntu <yzunt at yahoo.com>
> Hi,
> In trying to get bands data to be used in plotting band for simple
> graphene unit cell, the out put files for bands.in shows the erro details
> given below.
>
> Program POST-PROC v.4.1.2 starts ...
> Today is 21Sep2012 at 0:17:35
> file C.pz-rrkjus.UPF: wavefunction(s) 2S renormalized
>
> negative rho (up, down): 0.396E-04 0.000E+00
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> from davcio : error # 10
> error while reading from file
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping ...
>
> Please I need the possible solution.
> Thank you
> Yusuf.
> Postgraduate Student
>
>
>
>
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