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
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
