Background
Current ABACUS allocates Psi for all k-points at the same time, namely npw*nks_ibz*nbands.
Describe the solution you'd like
Can we provide a mode, where ABACUS performs calculations sequentially on individual k-points.?
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
Current ABACUS allocates Psi for all k-points at the same time, namely
npw*nks_ibz*nbands.Describe the solution you'd like
Can we provide a mode, where ABACUS performs calculations sequentially on individual k-points.?
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)