NMRCURBX

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Revision as of 10:47, 7 March 2025 by Huebsch (talk | contribs) (Created page with "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>. == Related tags and articles == {{TAG|WRT_NMRCUR}}, {{TAG|LCHIMAG}}, {{TAG|LLRAUG}} Category:FilesCategory:Output filesCategory:NMR")
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The NMRCURBX file contains the NMR current density in atomic units (hartree bohr). 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 , , and .

Related tags and articles

WRT_NMRCUR, LCHIMAG, LLRAUG