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
How to define S in ICONST
Moderators: Global Moderator, Moderator
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- Global Moderator
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Re: How to define S in ICONST
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.
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.
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- Newbie
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- Joined: Mon Apr 18, 2022 7:05 am
Re: How to define S in ICONST
I got it!
Thanks for your quick reply!!!
Thanks for your quick reply!!!