TAUCAR: Difference between revisions
(Created page with "The {{FILE|TAUCAR}} file stores the kinetic-energy density <math>\tau</math> for a metaGGA calculation. It is written by default for metaGGAs ({{TAG|LTAU}}), but it can be avoided together with the {{FILE|CHGCAR}} using {{TAG|LCHARG}}. The kinetic energy density can also be redirected to {{FILE|vaspwave.h5}} using {{TAG|LH5}}. The {{FILE|TAUCAR}} file (together with the {{FILE|CHGCAR}} file) can be read to restart a calculation ({{TAG|ICHARG}}). {{NB|tip|We...") |
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The {{FILE|TAUCAR}} file (together with the {{FILE|CHGCAR}} file) can be read to restart a calculation ({{TAG|ICHARG}}). | The {{FILE|TAUCAR}} file (together with the {{FILE|CHGCAR}} file) can be read to restart a calculation ({{TAG|ICHARG}}). | ||
{{NB|tip|We recommend starting from the density files when repeatedly restarting with small changes in the input parameters, e.g., the '''k'''-point mesh ({{FILE|KPOINTS}}).}} | {{NB|tip|We recommend starting from the density files when repeatedly restarting with small changes in the input parameters, e.g., the '''k'''-point mesh ({{FILE|KPOINTS}}).}} | ||
{{NB|mind|Available as of VASP 6.6.}} | |||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 14:12, 10 March 2026
The TAUCAR file stores the kinetic-energy density [math]\displaystyle{ \tau }[/math] for a metaGGA calculation. It is written by default for metaGGAs (LTAU), but it can be avoided together with the CHGCAR using LCHARG. The kinetic energy density can also be redirected to vaspwave.h5 using LH5. The TAUCAR file (together with the CHGCAR file) can be read to restart a calculation (ICHARG).
| Tip: We recommend starting from the density files when repeatedly restarting with small changes in the input parameters, e.g., the k-point mesh (KPOINTS). |
| Mind: Available as of VASP 6.6. |