NGX: Difference between revisions
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:<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math> | :<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math> | ||
with E<sub>cut</sub>={{TAG|ENCUT}}. | with E<sub>cut</sub>={{TAG|ENCUT}}. | ||
Alternatively {{TAG|NGX}} may be set to a specific value in the {{FILE|INCAR}} file. | Alternatively {{TAG|NGX}} may be set to a specific value in the {{FILE|INCAR}} file. | ||
Revision as of 12:36, 12 February 2011
NGX = [integer]
Default: NGX = set in accordance with PREC and ENCUT
Description: NGX sets the number of grid points in the FFT-grid along the first lattice vector.
By default NGX is set in accordance with the requested "precision"-mode (PREC) and the plane wave kinetic energy cutoff ENCUT:
where
with Ecut=ENCUT.
Alternatively NGX may be set to a specific value in the INCAR file.
Related Tags and Sections
NGY, NGZ, NGXF, NGYF, NGZF, PREC, ENCUT, ENAUG, ENMAX