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TS-vdW correction; turn off ts-vdW interaction between specific atoms

Posted: Thu Apr 24, 2014 1:49 pm
by ido
Hello,

Allow me to ask several questions regarding TS-vdW correction in VASP.

1) Is there an option to turn off TS-vdW interaction only between specific atoms in the structure, and to include them for all the rest?

2) What is the flag: LVDW_SAMETYPE?

3) What is the flag: LVDW_ONECELL?

4) What is the difference between IVDW 2 or 20?

Kind regards,
Ido

TS-vdW correction; turn off ts-vdW interaction between specific atoms

Posted: Fri Jun 20, 2014 2:26 am
by qzhang62
This is the question I also want to ask, what is the difference between 2 and 20. Someone please help.

TS-vdW correction; turn off ts-vdW interaction between specific atoms

Posted: Mon Jun 23, 2014 3:01 pm
by stephan
As far as I know, two alternative inputs, same effect