NGY: Difference between revisions

Revision as of 14:52, 6 April 2022

NGY = [integer]
Default: NGY = set in accordance with PREC and ENCUT

Description: NGY sets the number of grid points in the FFT grid along the second lattice vector.

By default NGY is set in accordance with the requested "precision"-mode (PREC) and the plane wave kinetic energy cutoff ENCUT:

where

E_{\rm {cut}}={\frac {\hbar ^{2}}{2m_{e}}}G_{\rm {cut}}^{2}

with E_cut=ENCUT.

Alternatively NGY may be set to a specific value in the INCAR file.

@@ Line 1: / Line 1: @@
 {{TAGDEF|NGY|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}}
-Description: {{TAG|NGY}} sets the number of grid points in the FFT-grid along the second lattice vector.
+Description: {{TAG|NGY}} sets the number of grid points in the FFT grid along the second lattice vector.
 ----
 By default {{TAG|NGY}} is set in accordance with the requested "precision"-mode ({{TAG|PREC}}) and the plane wave kinetic energy cutoff {{TAG|ENCUT}}:
@@ Line 40: / Line 40: @@
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-[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]
+[[Category:INCAR]][[Category:Electronic minimization]]