[DFTB-Plus-User] nudged elastic band method
Hongxin Yang
hongxin.yang.spintec at gmail.com
Tue Jul 16 06:01:07 CEST 2013
Dear colleagues,
I want to know how to do nudged elastic band method (NEB) within DFTB+?
Thank you very much!
Best,
Hongxin
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Hongxin YANG
CSIRO's Office of the Chief Executive Postdoc Fellow
CSIRO, Materials Science and Engineering
343 Royal Pde, Parkville, VIC, 3052, Australia
Tel: +61 (03) 9662 7105
FAX: +61 (03) 9662 7145
Email: hongxin.yang at csiro.au
hongxin.yang.spintec at gmail.com
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