Page 1 of 1
The VCA in VASP.5.4
Posted: Sat Nov 17, 2018 5:53 am
by LIUXINGHUI
Hi, May I know we can use the VCA in vasp.5.4 or not. if it is possible. How to modify the POTCAR or just follow the order of POSCAR. May I know it.
Re: The VCA in VASP.5.4
Posted: Fri Nov 23, 2018 12:34 pm
by admin
Virtual Crystal Approximation is not released as official feature of VASP.
Existing implementations were used just for testing purposes.
There is no documentation.
Re: The VCA in VASP.5.4
Posted: Mon Nov 26, 2018 4:23 pm
by LIUXINGHUI
Yes, Thanks for the feedback. May I use the result for the publication? Becasue some system of doping is impossible to make the big supercell.
Re: The VCA in VASP.5.4
Posted: Tue Nov 27, 2018 9:33 am
by admin
Yes, feel free to publish your data
Re: The VCA in VASP.5.4
Posted: Wed Nov 28, 2018 2:47 am
by LIUXINGHUI
Yes, Thanks so much.