An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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Feature: enable user-defined weights partition on PSI and DPSI terms in Spillage function #3949
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kirk0830 closed 7 months ago
Background
Seems the ratio of weights in Spillage function of PSI and DPSI plays crucial role
Describe the solution you'd like
enable the parameter
spillage_coefs
in new version orbital generation codeTask 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)
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Additional Context
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Task list for Issue attackers (only for developers)