monolayer
Posted: Wed Jul 10, 2013 9:27 am
hey!
pls can anyone to suggest me ,how to make 2d monolayer using vasp i.e what is change in POSCAR and KPOINTS ?
I m trying to create mos2 monolayer :
I used KPOINTS:
Monkhorst pack
21 21 1
0 0 0
after create the 4 input files ,run vasp .. but my results are not matched with literature..
pls suggest me how to change in KPOINTS and POSCAR to make monolayer mos2...
pls can anyone to suggest me ,how to make 2d monolayer using vasp i.e what is change in POSCAR and KPOINTS ?
I m trying to create mos2 monolayer :
I used KPOINTS:
Monkhorst pack
21 21 1
0 0 0
after create the 4 input files ,run vasp .. but my results are not matched with literature..
pls suggest me how to change in KPOINTS and POSCAR to make monolayer mos2...