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VASPsol for solid-solid interfaces #84

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basantaliCUB opened this issue Nov 9, 2023 · 1 comment
Open

VASPsol for solid-solid interfaces #84

basantaliCUB opened this issue Nov 9, 2023 · 1 comment

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@basantaliCUB
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Hi,
I wish to know if it is possible to use the dielectric constant of a solid electrolyte as the dielectric in VASPsol to calculate the properties of a solid-solid interface.

Also, I have run a job using VASPsol
Tags:
LSOL = .TRUE.
EB_k = 5.5
TAU = 0
NC_K = 5E-5

However, I did not find any clue in the OUTCAR that VASP actually ran the VASPsol. I checked with the compilation and VASPsol should be compiled correctly.

Please, advice.

Thank you in advance.

@ericfonseca95
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Hello,

If vaspsol ran correctly you should see the NC_K, SIGMA_K, LSOL, and other vaspsol related tags print to the OUTCAR file.

Best,

Eric Fonseca

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