O atom spinpolarized low symmetry: Difference between revisions
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<div style="background:#FFFFFF; border:solid 1px #AAAAAA; margin-bottom:1em; padding:0.4em 0.6em;">[[O atom tutorial|Overview]] <span style="color:#AAAAAA;">></span> [[O atom|O atom]] <span style="color:#AAAAAA;">></span> [[O atom spinpolarized|O atom spinpolarized]] <span style="color:#AAAAAA;">></span> [[O atom spinpolarized low symmetry|O atom spinpolarized low symmetry]] <span style="color:#AAAAAA;">></span> [[/4|Videotutorial]]</div> | |||
*{{TAG|INCAR}} | *{{TAG|INCAR}} | ||
{{TAGBL|SYSTEM}} = O atom in a box | {{TAGBL|SYSTEM}} = O atom in a box | ||
Revision as of 14:58, 25 April 2017
SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing SIGMA = 0.01 ISPIN = 2 ! spin polarized calculation
Gamma-point only 0 Monkhorst Pack 1 1 1 0 0 0
O atom in a box 1.0 ! universal scaling parameters 7.0 0.0 0.0 ! lattice vector a(1) 0.0 7.5 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
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