O atom spinpolarized: Difference between revisions

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== Used INCAR Tags ==
== Used INCAR Tags ==
{{TAG|SYSTEM}}, {{TAG|ISMEAR}}, {{TAG|ISPIN}}
{{TAG|ISMEAR}}, {{TAG|ISPIN}}, {{TAG|SYSTEM}}


== Download ==
== Download ==

Revision as of 10:02, 16 February 2017

SYSTEM = O atom in a box
ISMEAR = 0  ! Gaussian smearing
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
 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

ISMEAR, ISPIN, SYSTEM

Download

Oatomspin.tgz


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