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Questions related from Shahid Sattar
Can anyone explain how to distinguish between spin-up and spin-down bands or DOS for an SOC calculation in VASP? For non-SOC, p4vasp gives us the option to separate up and down spin bands as well...
02 February 2017 8,209 0 View
I know it has been discussed earlier but due to ambiguities, still I want to make it clear. I'm trying to apply external electric field to a 2D system (e.g., graphene). After getting relaxed...
04 April 2016 5,602 11 View
While doing a VASP calculation, I'm getting a total magnetic moment of +1 mu_B in relaxation (due to one magnetic impurity atom). When I do SCF with double the k-mesh compared to relaxation...
03 March 2016 4,047 3 View
