Background
In current version, the partial charge can be obtained with calculation=get_pchg. However, the set of nbands_istate output too many unexpected result if one just want pchg with several specific band index.
Describe the solution you'd like
It is suggested to provide a keyword i.e. iband to determine a band index list. Only these wave functions are calculated. Similar tag can be found in VASP as IBAND: https://www.vasp.at/wiki/index.php/IBAND
Task list only for developers
Notice Possible Changes of Behavior (Reminder only for developers)
No response
Notice any changes of core modules (Reminder only for developers)
No response
Notice Possible Changes of Core Modules (Reminder only for developers)
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
Background
In current version, the partial charge can be obtained with
calculation=get_pchg. However, the set ofnbands_istateoutput too many unexpected result if one just want pchg with several specific band index.Describe the solution you'd like
It is suggested to provide a keyword i.e.
ibandto determine a band index list. Only these wave functions are calculated. Similar tag can be found in VASP asIBAND: https://www.vasp.at/wiki/index.php/IBANDTask list only for developers
Notice Possible Changes of Behavior (Reminder only for developers)
No response
Notice any changes of core modules (Reminder only for developers)
No response
Notice Possible Changes of Core Modules (Reminder only for developers)
No response
Additional Context
No response
Task list for Issue attackers (only for developers)