I guess it will effect as we are replacing the 25% of exchange of SL with
HF, while rest of the 75% kept as it is. Is it so, please confirm.
On Sat, 16 Sept 2023 at 18:58, shamik chakrabarti
wrote:
> Dear Wien2k users,
>
> I have included 50 k-points for running GGA to
>
Dear Wien2k users,
I have included 50 k-points for running GGA to
monolayer 6 atomic graphene. After completion of GGA I will go
for subsequent HSE06 with 7x7x1 k-points mesh. However, for LiC6 (1 single
Li atom adsorbed on to the graphene surfact ) , for GGA, I am not
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