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monolayer

Posted: Wed Jul 10, 2013 9:27 am
by jyoti
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...

Re: monolayer

Posted: Thu Sep 12, 2024 9:01 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP