nscf calculation starting from wavefunction (LCAO) only not supported yet

[hongriTianqi]

Describe the bug

Current Status:
Given wfc file, but no chg file, nscf calculation in lcao will start from atomic charge density. The final eigen energies are wrong due to wrong Hamiltonian.

Expected behavior

Given wfc file and occupation, if the sum of all occupation equals total number of electrons, calculate rho from wfc, and then perform nscf.

To Reproduce

No response

Environment

No response

Additional Context

No response

[hongriTianqi]

This Issue becomes stale as it can only be solved after lcao refactoring. Can we open the choice of "Close as not planned" option to treat stale issues like this one? @mohanchen @dyzheng @baixiaokuang @caic99

[caic99]

This Issue becomes stale as it can only be solved after lcao refactoring. Can we open the choice of "Close as not planned" option to treat stale issues like this one? @mohanchen @dyzheng @baixiaokuang @caic99

Hi @hongriTianqi ,
I think it would be better using the "later" flag rather than simply closing this issue. "Close as not planned" should be used only if this issue would not / can not being fixed.

[hongriTianqi]

Hi @caic99 Thanks for your advice!