ICAMM Rennes 2016 HOWTO: Difference between revisions
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Here is a brief tutorial on how to run a calculation and how to run post-traitment tools | Here is a brief tutorial on how to run a calculation and how to run post-traitment tools | ||
* To run the a | * To run a vasp calculation: | ||
::3 versions of the VASP code are available: | |||
<ol> | |||
:<li>the so-called ''gamma'' version which allows you to make ''gamma'' calculation but with only 1 K-point</li> | |||
:To use it, enter the following command on a terminal | |||
:<code>vasp_gam</code> | |||
:<li>the so-called ''standard'' version which allows you to make ''standard'' calculation with several K-points</li> | |||
:To use it, enter the following command on a terminal | |||
:<code>vasp_std</code> | |||
:<li>the so-called ''non-colinear'' version which allows you to make ''non-colinear'' calculation with several K-points</li> | |||
:To use it, enter the following command on a terminal | |||
:<code>vasp_ncl</code> | |||
</ol> | |||
Revision as of 15:14, 23 August 2016
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:
- the so-called gamma version which allows you to make gamma calculation but with only 1 K-point
- To use it, enter the following command on a terminal
vasp_gam- the so-called standard version which allows you to make standard calculation with several K-points
- To use it, enter the following command on a terminal
vasp_std- the so-called non-colinear version which allows you to make non-colinear calculation with several K-points
- To use it, enter the following command on a terminal
vasp_ncl