Skip to content

CHGCAR reshape data #306

@knc6

Description

@knc6

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.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions