O atom spinpolarized low symmetry: Difference between revisions
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== Used INCAR Tags == | == Used INCAR Tags == | ||
{{TAG| | {{TAG|ISMEAR}}, {{TAG|ISPIN}}, {{TAG|SIGMA}}, {{TAG|SYSTEM}} | ||
== Download == | == Download == | ||
Revision as of 10:01, 16 February 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
Used INCAR Tags
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