TS search using the Improved Dimer Method: Revision history

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23 June 2019

15 March 2017

28 February 2017

24 August 2016

  • curprev 19:4219:42, 24 August 2016Doris talk contribs 861 bytes +861 Created page with "Description: ---- *INCAR SYSTEM = Ammonia flipping IBRION = 44 NSW = 100 EDIFF = 1e-6 EDIFFG = -0.01 *KPOINTS k-points 0 G 1 1 1 *POSCAR ammonia flipping..."