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CHGCAR reshape data #306

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knc6 opened this issue Nov 16, 2023 · 0 comments

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knc6 commented Nov 16, 2023

In this line https://github.com/usnistgov/jarvis/blob/master/jarvis/io/vasp/outputs.py#L208

tmp_set should be reshaped as ng[2],ng[0],ng[1] to follow Fortran writing format and get correct average electrostatic potential etc.

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