[QE-users] error in routine read_conf_from_file

Mehboob Alam mehboob.cu at gmail.com
Fri Feb 19 22:46:26 CET 2021


Dear Quantum Espresso users and Developers,

I'm trying to run an NSCF calculation on a test system. I've already run
SCF befor this calculation and the data-file-schema.xml is already present
in a directory. However, whenever I try to run the NSCF calculation the job
is terminated with the following error.

Atomic positions and unit cell read from directory:

     ./outdir/pwscf.save/

     Message from routine qexsd_readschema :

     xml data file ./outdir/pwscf.save/data-file-schema.xml not found


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     Error in routine read_conf_from_file (1):

     fatal error reading xml file

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


     stopping ...

it would really be very helpful if you point me how to solve this problem.
Thanks in advance for your kind help.

Best Regards,
Mehboob
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