[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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