Fcc Ni (revisited): Difference between revisions
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{{Template:Magnetism}} | |||
-- | == Task == | ||
Calculation of spin-polarized fcc Ni, a ferromagnet. | |||
== Input == | |||
=== {{TAG|POSCAR}} === | |||
<pre> | |||
fcc: | |||
-10.93 | |||
0.5 0.5 0.0 | |||
0.0 0.5 0.5 | |||
0.5 0.0 0.5 | |||
1 | |||
Cartesian | |||
0 0 0 | |||
</pre> | |||
=== {{TAG|INCAR}} === | |||
{{TAGBL|SYSTEM}} = Ni fcc bulk | {{TAGBL|SYSTEM}} = Ni fcc bulk | ||
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{{TAGBL|LORBIT}} = 11 | {{TAGBL|LORBIT}} = 11 | ||
=== {{TAG|KPOINTS}} === | |||
<pre> | <pre> | ||
k-points | k-points | ||
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</pre> | </pre> | ||
== Calculation == | |||
== Download == | == Download == | ||
Revision as of 13:48, 17 May 2017
Overview > fcc Ni (revisited) > NiO > NiO LSDA+U > Spin-orbit coupling in a Ni monolayer > Spin-orbit coupling in a Fe monolayer >constraining local magnetic moments > List of tutorials
Task
Calculation of spin-polarized fcc Ni, a ferromagnet.
Input
POSCAR
fcc: -10.93 0.5 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 1 Cartesian 0 0 0
INCAR
SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = -5 VOSKOWN = 1 LORBIT = 11
KPOINTS
k-points 0 Gamma 11 11 11 0 0 0
Calculation
Download
To the list of examples or to the main page