[Pw_forum] Problem with epsilon.x

Bohdan Andriyevskyy bohdan.andriyevskyy at tu.koszalin.pl
Tue Jul 24 09:09:53 CEST 2012


Dear All,
when I try to calculate optical properties of my crystal (cluster) I 
obtain the following CRASH file:

  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      task #         0
      from epsilon : error #         1
      ban band number
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

The previous pw.x run was successful. The corresponding input files and 
the last output file (epsilon) are attached. Please, advise me how to 
resolve this problem.

Regards,
Bohdan
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: ipa_1_opt_epsil.out
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120724/57d0f2f6/attachment.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: ipa_1_3.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120724/57d0f2f6/attachment-0001.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: ipa_1_opt_epsil.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120724/57d0f2f6/attachment-0002.ksh>


More information about the users mailing list