Nicola Zagni

2 Questions 1 Answers 0 Followers

Questions related from Nicola Zagni

Direct Input of the Occupation Matrix?

I'm implementing the Occupation Matrix Control scheme (OMC) in VASP DFT+U calculations via direcct input of the Occupation Matrix. This requires an external input file (OCCMATRIX) containing the...

18 March 2020 2,113 1 View

Can you help with vasp/5.5.4-omc submission script?

Can you help with vasp/5.5.4-omc submission script? I tried to submit jobs with same submission script as vasp 5.5.4 but it doesn't work and it sends me the error message: Primary job...

11 March 2020 758 1 View