Dear Prof. Tran,
I have obtained convergence by introducing the following
parameters; alpha=0.25, mixing scheme = PRATT, mixing parameter=0.05, TETRA
instead of TEMP in case.in2.
Now, I want to compare the energy before lithiation & after lithiation. I
have obtained the energy b
Sorry, it should be TEMP instead of TETRA in the study after lithiation
while keeping TETRA in the study before lithiation (with HSE06 for both the
cases with alpha=0.25)
On Sun, 12 Jun 2022 at 13:44, shamik chakrabarti
wrote:
> Dear Prof. Tran,
>
>I have obtained convergence
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