[Pw_forum] folder corresponding to outdir is empty
Kajal Jindal
kajalmh18 at gmail.com
Thu Mar 9 06:35:26 CET 2017
Dear pwscf users,
I am trying to calculate the band structure of BFO. The scf calculation
runs successfully. However, the folder corresponding to outdir is empty
after scf calculation. So, i am unable to proceed with bands calculation.
Output file of bands calculation stops with the following error:
Error in routine pw_readfile(1):
Error opening xml datafile.
I am attaching the scf input and output files along.
Kindly suggest the problem.
Regards,
Kajal Jindal,
University of Delhi
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170309/1c5b77af/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bforel.inp
Type: chemical/x-gamess-input
Size: 2859 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170309/1c5b77af/attachment.bin>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bforel.out
Type: application/octet-stream
Size: 62096 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170309/1c5b77af/attachment.obj>
More information about the users
mailing list