the codes about force calculation

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


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wji
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the codes about force calculation

#1 Post by wji » Thu Aug 18, 2016 10:04 am

Hi,

I want to rewrite the codes about calculating forces to do a special calculation in which a constant force is exerted on some atoms. But I fail to find them in VASP.
Could anyone tell me where these codes are?

Thanks a lot!

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Re: the codes about force calculation

#2 Post by admin » Thu Aug 18, 2016 10:28 am

grep force *.F

Cf. e.g. subroutines in force.F

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