Mahtab Goodarzi

4 Questions 1 Answers 0 Followers

Questions related from Mahtab Goodarzi

What is thevdw_corr and cell_dofree for relaxation calculations in quantum espresso software??

what is the vdw_corr and cell_dofree for a curved(bended) nanosheet????? &system ibrav = 0, nat = 40 ntyp = 2, ecutwfc = 50, ecutrho = 400, vdw_corr =...

07 June 2022 4,316 2 View

How to fix the MPI_Abort(MPI_COMM_WORLD, 1 ) - process0 and MPI_Abort(MPI_COMM_WORLD, 1 ) - process 1????????

what are thiese errors in the quantum espresso apps?and How to fix?

02 February 2022 7,502 2 View

How much does consider number of (nbnd) in the semiconductor input file for electronic calculations with the Quantum Espresso program?

number of (nbnd) in the semiconductor inputfile

01 February 2022 4,691 1 View

How can I get Fermi-surface by DFT calculations (VASP and Quantum-Espresso)? also projected Fermi-sufaces on different crystallographic planes?

please answer.thank you

18 January 2022 7,078 5 View