Skip to content

out_chg 2 output init charge density is all 0 #6502

@AMXiaoXiaoSu

Description

@AMXiaoXiaoSu

Describe the bug

When I set out_chg 2 to obtain the initial charge density, I found that the density part of output cube was all zeros.

Expected behavior

init charge density should be the super position of spherical neutral atomic density

To Reproduce

No response

Environment

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

  • Verify the issue is not a duplicate.
  • Describe the bug.
  • Steps to reproduce.
  • Expected behavior.
  • Error message.
  • Environment details.
  • Additional context.
  • Assign a priority level (low, medium, high, urgent).
  • Assign the issue to a team member.
  • Label the issue with relevant tags.
  • Identify possible related issues.
  • Create a unit test or automated test to reproduce the bug (if applicable).
  • Fix the bug.
  • Test the fix.
  • Update documentation (if necessary).
  • Close the issue and inform the reporter (if applicable).

Metadata

Metadata

Assignees

Labels

BugsBugs that only solvable with sufficient knowledge of DFT

Type

No type
No fields configured for issues without a type.

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions