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
bforel.inp
Description: chemical/gamess-input
bforel.out
Description: Binary data
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