Relaxed geometry: Revision history

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23 June 2019

15 March 2017

28 February 2017

24 August 2016

  • curprev 19:4719:47, 24 August 2016Doris talk contribs 912 bytes +912 Created page with "Description: calculate the relaxed geometry of NH3: the total energy is the energy of the initial state of the flipping reaction ---- *INCAR SYSTEM = Ammonia flipping IBRIO..."