Farhat Tasnim

2 Questions 3 Answers 0 Followers

Questions related from Farhat Tasnim

What is the appropriate core allocation for large system and small RAM ?

I am working a system of 40 atoms (Hafnium Selenide,monoclinic structure). When I try run the command "mpirun -np 8 VASP " , process terminates with this error. I have 8 GB RAM and I tried all...

13 January 2024 1,299 3 View

Bandgap related discrepency in VASP calculation for sesqui-chalcogenide

I have been working on sesqui-chalcogenides, i.e., M2X3 structure where M=transition metal and X=chalcogen with VASP. After simulating the bandstructure for both the non spin-polarised and...

01 January 1970 6,705 6 View