Rohit Pathak

2 Questions 7 Answers 0 Followers

Questions related from Rohit Pathak

@VASP How to get rid of external pressure (OUTCAR)?

I am doing full relaxation (ISIF=3) for a metallic system with ISMEAR=1 and in the last ionic step of relaxation the pressure is less than 1 kB but after I do static final SCF run (with ISMEAR =...

07 July 2018 5,086 5 View

@VASP Magnetic moment changing (decreasing) drastically with ISMEAR=0 as comparison to ISMEAR=-5 ?

Hi, In my static self consistent calculation I am using ISMEAR=-5 & its giving DENTET error (see attached image file) but its giving final result too. To get rid of this error, as suggested...

02 February 2016 3,224 5 View