Dear all,
could anybody point me to a link or provide instructions on how to compile 4.6 so it can calculate NEB TS and frequencies. I know I need to add additional scripts from UTexas website, but it all seems a bit confusing and exact order would be appreciated
Jonas
compile 4.6+NEB+freq
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jasius
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compile 4.6+NEB+freq
Last edited by jasius on Thu Nov 28, 2013 4:58 pm, edited 1 time in total.
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admin
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compile 4.6+NEB+freq
for the vasp-distribution from us, there is no additional script needed for the compilation of vasp for doing NEB calculations (all you need is a parallel executable). For any specific features for the version for the Henkelman version, please check the corresponding web-site of the UTexas
Last edited by admin on Thu Jan 16, 2014 4:36 pm, edited 1 time in total.