NMRCURBX: Difference between revisions

Revision as of 11:51, 14 April 2026

Mind: Available as of VASP 6.6.0

The NMRCURBX file contains the NMR current density in atomic units (hartree bohr²). It is written if WRT_NMRCUR is set. The format is the same as CHGCAR with a header to define the grid and then 3 blocks that correspond to [math]\displaystyle{ j_x }[/math], [math]\displaystyle{ j_y }[/math], and [math]\displaystyle{ j_z }[/math].

@@ Line 1: / Line 1: @@
 {{Available|6.6.0}}
-The {{FILE|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG|WRT_NMRCUR}} is set. The format is the same as {{FILE|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.
+The {{FILE|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr²). It is written if {{TAG|WRT_NMRCUR}} is set. The format is the same as {{FILE|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.
 == Related tags and articles ==