ICAMM Rennes 2016 HOWTO

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Revision as of 15:14, 23 August 2016 by Xavier (talk | contribs)

Here is a brief tutorial on how to run a calculation and how to run post-traitment tools

  • To run a vasp calculation:
3 versions of the VASP code are available:
  1. the so-called gamma version which allows you to make gamma calculation but with only 1 K-point
  2. To use it, enter the following command on a terminal
    vasp_gam
  3. the so-called standard version which allows you to make standard calculation with several K-points
  4. To use it, enter the following command on a terminal
    vasp_std
  5. the so-called non-colinear version which allows you to make non-colinear calculation with several K-points
  6. To use it, enter the following command on a terminal
    vasp_ncl