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NMRCURBX: Difference between revisions

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Revision as of 11:08, 7 March 2025

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].

Related tags and articles

WRT_NMRCUR, LCHIMAG, LLRAUG