I received a reply from Dr. M Jamal and what he adviced (amended below) solved
my issue.
"If you have all of your scf file, run 2Doptimize.job file again. It restores
all of your Vconst files."
regardsChin S.
On Saturday, 28 July, 2018, 2:45:16 AM IST, Peter Blaha
<pbl...@theochem.tuwien.ac.at> wrote:
I don't know. ana2D was contributed by Morteza Jamal.
Maybe some output from gnuplot or numbers calculated by bc.
In any, that many digits are meaningless.
Am 27.07.2018 um 11:16 schrieb chin Sabsu:
> Dear Peter Sir
>
> I have done 2D optimization for a case and I need to make Vconst* files
> (manually, I deleted some that ana2D code gave).
> For example, I need to prepare like this:
>
> 31.539224 13.55935 5021.80108 -197506.77004096 2.32601297259824401612
> V-15.0_COA_-6.0
>
> Here I see the decimal value for COA is 21 (printed by the program).
>
> I tried to get such a decimal precision (up to 21 decimal digit) but I
> could not succeed.
>
> Could you please help me how to get such precise decimal digits for COA
> ratio?
>
>
> Kind regards
>
> Chin S.
>
>
>
>
>
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--
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