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by lappyexpert
Sat Mar 18, 2023 8:31 am
Forum: tsase
Topic: questions on solid state neb
Replies: 1
Views: 69964

Re: questions on solid state neb

The exts.dat and extsss.dat files are generated by neresults.pl after an SSNEB (string method with the nudged elastic band) calculation in the VASP (Vienna Ab initio Simulation Package) software. These files contain information about the intermediate images along the reaction pathway. The exts.dat f...