[Pw_forum] Pslibrary not writing pwscf.rdf.dat

Prateek Mehta prateekmehta.in at gmail.com
Sat May 10 03:12:25 CEST 2014


Hi all,

I seem to be having  strange issue with pslibrary1.0.0 for MD simulations.

For some reason the pwscf.rdf.dat file is not being written while using
pseudopotentials from pslibrary1.0.0. If I use other pseudo potentials
obtained from the QE website, the rdf is being written. All other input
parameters are the same.

Does anyone know why this is happening?

Thanks,

Prateek Mehta
Robert Bosch Research
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