quemb.kbe.lo

Functions

get_iao_k(Co, S12, S1[, S2, ortho])
get_pao_k(Ciao, S, S12)
get_pao_native_k(Ciao, S, mol, iao_valence_basis)
get_xovlp_k(cell, kpts[, basis])	Gets overlap matrix between the two bases and in secondary basis.
remove_core_mo_k(Clo, Ccore, S[, thr])

Classes

KMF(cell[, kpts, mo_coeff, mo_energy])
Mixin_k_Localize()