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In a KI calculation, we can currently choose the variational orbitals to come from an innerloop PZ minimization via init_orbitals=pz. The normally PZ innerloop-only calculation follows a standard DFT calculation so the PZ orbitals are calculated starting from KS orbitals. We would like to have the possibility to initialize the PZ calculation starting from MLWFs or PROJWFs.
The text was updated successfully, but these errors were encountered:
In a KI calculation, we can currently choose the variational orbitals to come from an innerloop PZ minimization via
init_orbitals=pz
. The normally PZ innerloop-only calculation follows a standard DFT calculation so the PZ orbitals are calculated starting from KS orbitals. We would like to have the possibility to initialize the PZ calculation starting from MLWFs or PROJWFs.The text was updated successfully, but these errors were encountered: