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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Refactor: 1. add nscf in ESolver_KS_PW, 2. move psi from GlobalC::wf to ESolver #143
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dyzheng closed 2 years ago
Now psi is a member pointer of class ESolver, old evc is only used in SDFT