OUTCAR: Difference between revisions
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The {{TAG|OUTCAR}} file gives detailed output of a VASP run, including: | The {{TAG|OUTCAR}} file gives detailed output of a VASP run, including: | ||
*A summary of the used input parameters. | *A summary of the used input parameters. | ||
*Information about the electronic steps | *Information about the electronic steps, KS-eigenvalues. | ||
*Stress tensors. | *Stress tensors. | ||
*Forces on the atoms. | *Forces on the atoms. | ||
*Local charges and magnetic moments. | *Local charges and magnetic moments. | ||
*Dielectric properties | *Dielectric properties | ||
*The amount of output written onto the OUTCAR file can be chosen by modifying the {{TAG|NWRITE}} tag in the {{TAG|INCAR}} file. | *The amount of output written onto the {{TAG|OUTCAR}} file can be chosen by modifying the {{TAG|NWRITE}} tag in the {{TAG|INCAR}} file. | ||
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Revision as of 18:16, 8 May 2018
The OUTCAR file gives detailed output of a VASP run, including:
- A summary of the used input parameters.
- Information about the electronic steps, KS-eigenvalues.
- Stress tensors.
- Forces on the atoms.
- Local charges and magnetic moments.
- Dielectric properties
- The amount of output written onto the OUTCAR file can be chosen by modifying the NWRITE tag in the INCAR file.