O atom: Difference between revisions
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cart ! positions in cartesian coordinates | cart ! positions in cartesian coordinates | ||
0 0 0 | 0 0 0 | ||
== Used Tags == | |||
{{TAG|SYSTEM}}, {{TAG|ISMEAR}} | |||
== Download == | == Download == | ||
[http://www.vasp.at/vasp-workshop/examples/Oatom.tgz Oatom.tgz] | [http://www.vasp.at/vasp-workshop/examples/Oatom.tgz Oatom.tgz] | ||
---- | ---- | ||
[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | [[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | ||
[[Category:Examples]] | [[Category:Examples]] | ||
Revision as of 09:55, 16 February 2017
- INCAR
SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing
- KPOINTS
Gamma-point only 0 Monkhorst Pack 1 1 1 0 0 0
- POSCAR
O atom in a box 1.0 ! universal scaling parameters 8.0 0.0 0.0 ! lattice vector a(1) 0.0 8.0 0.0 ! lattice vector a(2) 0.0 0.0 8.0 ! lattice vector a(3) 1 ! number of atoms cart ! positions in cartesian coordinates 0 0 0
Used Tags
Download
To the list of examples or to the main page