relation between negative and positive value of EDIFFG

Vasp transition state theory tools

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Kalpna Jain
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Joined: Mon Jun 03, 2013 7:53 am

relation between negative and positive value of EDIFFG

Post by Kalpna Jain »

Dear sir,
I want to know the relation between the negative and positive values of EDIFFG if there is.
If I take EDIFFG=-0.02 then what will be the equivalent positive value of EDIFFG for this.
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graeme
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Re: relation between negative and positive value of EDIFFG

Post by graeme »

Read this: http://cms.mpi.univie.ac.at/vasp/guide/node107.html
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