NMRCURBX: Difference between revisions
No edit summary |
Tag: Rollback |
| (One intermediate revision by the same user not shown) | |
(No difference)
| |
Latest revision as of 12:37, 15 April 2026
| Mind: Available as of VASP 6.6.0 |
The NMRCURBX file contains the NMR current density in atomic units (hartree bohr[math]\displaystyle{ ^2 }[/math]). 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].