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
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
