Fcc Ni (revisited): Difference between revisions
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---- | ---- | ||
*INCAR | *{{TAG|INCAR}} | ||
<pre> | <pre> | ||
SYSTEM = Ni fcc bulk | SYSTEM = Ni fcc bulk | ||
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</pre> | </pre> | ||
*KPOINTS | *{{TAG|KPOINTS}} | ||
<pre> | <pre> | ||
k-points | k-points | ||
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</pre> | </pre> | ||
*POSCAR | *{{TAG|POSCAR}} | ||
<pre> | <pre> | ||
fcc: | fcc: | ||
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0 0 0 | 0 0 0 | ||
</pre> | </pre> | ||
== Used INCAR Tags == | |||
{{TAG|ISMEAR}}, {{TAG|ISPIN}}, {{TAG|ISTART}}, {{TAG|LORBIT}}, {{TAG|MAGMOM}}, {{TAG|SYSTEM}}, {{TAG|VOSKOWN}} | |||
== Download == | == Download == | ||
[http://www.vasp.at/vasp-workshop/examples/4_1_Ni.tgz 4_1_Ni.tgz] | [http://www.vasp.at/vasp-workshop/examples/4_1_Ni.tgz 4_1_Ni.tgz] | ||
---- | ---- | ||
[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | [[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | ||
[[Category:Examples]] | [[Category:Examples]] | ||
Revision as of 09:59, 17 February 2017
Description: spin polarized fcc Ni, a ferromagnet.
SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = -5 VOSKOWN = 1 LORBIT = 11
k-points 0 Gamma 11 11 11 0 0 0
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
Used INCAR Tags
ISMEAR, ISPIN, ISTART, LORBIT, MAGMOM, SYSTEM, VOSKOWN
Download
To the list of examples or to the main page