[Pw_forum] New plot_num in pp.x

Parham Shenavar shenavar at gmail.com
Thu Aug 18 22:30:53 CEST 2016


Dear all

Quantum espresso added plot_num=21 in pp.x program o 5.4 release. The
documentation just explained that it is all electron (core+valance)
electron density. I am a bit confused. Should I need do my scf or relax
calculation with PAW pseudo potentials or it works with whatever pseudo
potential I have used?

I did relax and scf with PBE pseudo potentials. How can I augment core
electrons with my results if I should?

Parham Shenavar
Electronic Engineering
Electrical and Computer school
Shiraz university
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