[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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