Describe the bug
test report here: https://labs.dp.tech/projects/abacustest/?request=GET%3A%2Fapplications%2Fabacustest%2Fjobs%2Fjob-abacustest-v0.3.40-e290cc
When I was trying to validate change of refactored codes, I find this bug.
Three kinds of pseudopotentials are used:
dojo: scalar relativistic, norm-conserving, from pseudojo, version 0.5
oncv: SG15, provided in tests/PP_ORB
pd04: original set pseudopotential
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers
Describe the bug
test report here: https://labs.dp.tech/projects/abacustest/?request=GET%3A%2Fapplications%2Fabacustest%2Fjobs%2Fjob-abacustest-v0.3.40-e290cc
When I was trying to validate change of refactored codes, I find this bug.
Three kinds of pseudopotentials are used:
dojo: scalar relativistic, norm-conserving, from pseudojo, version 0.5
oncv: SG15, provided in tests/PP_ORB
pd04: original set pseudopotential
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers