The VCA in VASP.5.4

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LIUXINGHUI
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The VCA in VASP.5.4

#1 Post by LIUXINGHUI » Sat Nov 17, 2018 5:53 am

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.

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Re: The VCA in VASP.5.4

#2 Post by admin » Fri Nov 23, 2018 12:34 pm

Virtual Crystal Approximation is not released as official feature of VASP.
Existing implementations were used just for testing purposes.
There is no documentation.

LIUXINGHUI
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Re: The VCA in VASP.5.4

#3 Post by LIUXINGHUI » Mon Nov 26, 2018 4:23 pm

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.

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Re: The VCA in VASP.5.4

#4 Post by admin » Tue Nov 27, 2018 9:33 am

Yes, feel free to publish your data

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Re: The VCA in VASP.5.4

#5 Post by LIUXINGHUI » Wed Nov 28, 2018 2:47 am

Yes, Thanks so much.

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