POSNICS

Mind: Available as of VASP 6.6.0

The POSNICS file is an input file that defines the positions to calculate the NMR nucleus-independent chemical shielding (NICS). If it is present in the directory running the job, it will be used by default, though it can be made explicit using LPOSNICS = True. The first line defines the number of NICS positions, followed by the positions of the NICS in direct coordinates, i.e., as fractions of the lattice parameters ${\vec{a}}_{1}, {\vec{a}}_{2}$ and ${\vec{a}}_{3}$ :

10000
0.0 0.0 0.5
0.0 0.01 0.5
0.0 0.02 0.5
...
0.99 0.97 0.5
0.99 0.98 0.5
0.99 0.99 0.5

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