Describe the Code Quality Issue
Now abacus will quit if init_wfc is set to atomic(default) while no atomic wfcs are read from pseudopotentials, leaving a warning message.
- Since the
atomic option is the default option it is better to pop a warning but not quit and complete the calculation.
- Need to output information like "aaa atomic + bbb random" for all cases.
- Update the docs and inform users of
atomic->random degeneration on pseupotentials without PP_PSWFC.
Additional Context
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Task list for Issue attackers (only for developers)
Describe the Code Quality Issue
Now
abacuswill quit ifinit_wfcis set toatomic(default) while no atomic wfcs are read from pseudopotentials, leaving a warning message.atomicoption is the default option it is better to pop a warning but not quit and complete the calculation.atomic->randomdegeneration on pseupotentials withoutPP_PSWFC.Additional Context
No response
Task list for Issue attackers (only for developers)