O atom: Difference between revisions
Vaspmaster (talk | contribs) No edit summary |
Vaspmaster (talk | contribs) No edit summary |
||
| Line 21: | Line 21: | ||
== Download == | == Download == | ||
[http://www.vasp.at/vasp-workshop/examples/1_1_O_atom.tgz 1_1_O_atom.tgz] | [http://www.vasp.at/vasp-workshop/examples/1_1_O_atom.tgz 1_1_O_atom.tgz] | ||
---- | |||
[[Category:Examples]] | |||
Revision as of 15:19, 4 June 2012
- INCAR
SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing
- KPOINTS
Gamma-point only 1 ! one k-point rec ! in units of the reciprocal lattice vector 0 0 0 1 ! 3 coordinates and weight
- POSCAR
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