Add projectability-disentangled Wannier functions #448
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* states with low projectability (< `dis_proj_min`) are discarded * states with high projectability (>= `dis_proj_max`) are freezed * remaining states are disentangled Works the best with pseudo-atomic-orbital projection when computing the Amn file, which generates the best projectability for the corresponding pseudopotential calculation, and ensures projectabilities are in the range of [0, 1]. Additionally, one could combine `dis_proj_min/max` with `dis_froz_min/max`, so as to freeze the union of inner energy window and high-projectability states, and exclude the union of states outside outer energy window and having low projectability. Added three input parameters: * `dis_froz_proj`: boolean to activate projectability disentanglement * `dis_proj_min`: projectability lower threshold * `dis_proj_max`: projectability upper threshold
also fixup some issues after merge fixup
JeromeCCP9
approved these changes
Jun 23, 2024
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Finally, rewrite the code on top of the current
developbranchTODOs: