CO vibration: Revision history

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13 November 2019

23 June 2019

7 June 2019

24 October 2018

10 August 2017

9 August 2017

3 July 2017

28 April 2017

27 April 2017

14 March 2017

16 February 2017

23 August 2016

9 June 2012

4 June 2012

  • curprev 15:3615:36, 4 June 2012Vaspmaster talk contribs 1,003 bytes +1,003 Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing IBRION = 5 ! use the conjugate gradient algorithm NFREE = 2 ! central differences POTIM = 0.02 ! 0…'