Skip to content

'Unknown PAO type' in reading oncvpsp #2746

Description

@Chentao168

Describe the bug

I generated 'Cu_27.upf' with oncvpsp 4.0.1. However, abacus v3.3.0 cannot read it while qe v7.2.0 can read it. The error message is 'Unknown PAO type'. It might be the bug in function 'print_PAOs'.

Expected behavior

No response

To Reproduce

20230723-bug-PAO.zip
ABACUS v3.3.0

Environment

Intel oneAPI MKL 2022.1

Additional Context

No response

Metadata

Metadata

Assignees

Labels

BugsBugs that only solvable with sufficient knowledge of DFT

Type

No type

Fields

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