[Pw_forum] bands.data

Yusuf Zuntu yzunt at yahoo.com
Thu Sep 20 18:39:34 CEST 2012


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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