O atom: Difference between revisions
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*{{FILE|INCAR}} | *{{FILE|INCAR}} | ||
{{TAGBL|SYSTEM}} = O atom in a box | {{TAGBL|SYSTEM}} = O atom in a box | ||
{{ | {{TAGBL|ISMEAR}} = 0 ! Gaussian smearing | ||
*{{TAG|KPOINTS}} | *{{TAG|KPOINTS}} | ||
Revision as of 11:04, 10 March 2017
SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing
Gamma-point only 0 Monkhorst Pack 1 1 1 0 0 0
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 INCAR Tags
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