How to freeze atoms in POSCAR using F/T tags

Queries about input and output files, running specific calculations, etc.


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nimali_rathnayake
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How to freeze atoms in POSCAR using F/T tags

#1 Post by nimali_rathnayake » Wed Feb 24, 2021 1:54 am

Hi,

I would like to know how to freeze the atom positions in POSCAR file with F/T tags. Do we need to do it manually? Or can we do it in vesta or is there any other software to do that?

I already have a POSCAR fie and I want to freeze some atoms in that POSCAR file and I would like to know how to do that.

Thank you.

Nimali

alex
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Re: How to freeze atoms in POSCAR using F/T tags

#2 Post by alex » Thu Feb 25, 2021 7:42 am

Hi Nimali,

check the manual, please: https://www.vasp.at/wiki/index.php/POSCAR

Cheers,


alex

nimali_rathnayake
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Re: How to freeze atoms in POSCAR using F/T tags

#3 Post by nimali_rathnayake » Thu Feb 25, 2021 10:32 am

Hi Alex,

Thank you.

Best regards,

Nimali

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