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How to define S in ICONST

Posted: Tue Oct 18, 2022 5:59 am
by kai_oshiro
Dear all,

I have a question about 4.) in the VASP wiki below.
wiki/index.php/ICONST

I don't understand why a2:a3=1.5:2 is defined by "S 0 0 0 0.0 3.0 -2.0 0".

I thought it would be "S 0 0 0 0.0 4.0 -3.0 0" or "S 0 0 0 0.0 2.0 -1.5 0".

Could you please teach me how to set "flag = S" in ICONST?

Kai

Re: How to define S in ICONST

Posted: Tue Oct 18, 2022 3:27 pm
by ferenc_karsai
Your understanding of the ICONST file is correct.

The last line should be:
S 0 0 0 0.0 4.0 -3.0 0

It was wrong in the wiki, it's corrected now.. Thank you very much for bringing it to our attention.
We appreciate these reports very much and it will help the users and us a lot.

Re: How to define S in ICONST

Posted: Wed Oct 19, 2022 7:34 am
by kai_oshiro
I got it!

Thanks for your quick reply!!!