[Wien] a note on lattice parameter optimization
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Thu Feb 8 17:28:01 CET 2018
Thank you All for the fruitful advice.
> I got the point and need to do some more test calculations.
> I will pu here the final note when I am done with it.
>
>
> I want one more advice:
>
> is it possible to put a position in Wien2k like 0.24850000, 0, 0 ??
> for 0.33333000 or 0.66667 like the position I know one must put is like
> 0.333333334 or 0.6666666667 (should not end with zero).
>
>
>
>
> regards
>
> Bhamu
>
>
>
>
>
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