UT theoretical chemistry code forum

discussion of codes maintained at UT Austin; supported by the National Science Foundation
https://henkelmanlab.org/forum/

relation between negative and positive value of EDIFFG

https://henkelmanlab.org/forum/viewtopic.php?t=1535

Page 1 of 1

relation between negative and positive value of EDIFFG

Posted: Mon Jun 03, 2013 8:04 am
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.

Re: relation between negative and positive value of EDIFFG

Posted: Mon Jun 03, 2013 1:08 pm
by graeme
Read this: http://cms.mpi.univie.ac.at/vasp/guide/node107.html
All times are UTC
Page 1 of 1

Powered by phpBB® Forum Software © phpBB Limited