[QE-users] ELF for an isolated system

Guda Karthik karthik.guda at gmail.com
Thu Mar 15 16:57:12 CET 2018


Dear experts,

I am running qe-6.2.2 relax simulation on a perovskite system  with a
vacuum specified in all three directions and with the option "assume
isolated". I am using norm conserving psuedopotentials. I am then using the
"pp.x" to get the ELF. Is it safe to assume QE can handle ELF analysis on
an isolated system while using norm conserving psuedopotentials?


Best regards,
Dr. Karthik Guda
Purdue University
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