Dear Kajal, try by removing disk_io = 'none' Best, Dario Rocca On Wed, Mar 8, 2017 at 9:35 PM, Kajal Jindal <kajalm...@gmail.com> wrote:
> 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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