postprocessing.eval_U_cRPA_RESPACK

postprocessing.eval_U_cRPA_RESPACK.construct_Uijkl(Uijij, Uiijj)[source]

construct full 4 index Uijkl tensor from respack data assuming Uijji = Uiijj

Uijij: np.ndarray: Uijij matrix
Uiijj: np.ndarray: Uiijj matrix

uijklnumpy array: uijkl Coulomb tensor

postprocessing.eval_U_cRPA_RESPACK.fit_slater(u_ijij_crpa, u_ijji_crpa, U_init, J_init, fixed_F4_F2=True)[source]: finds best Slater parameters U, J for given Uijij and Uijji matrices using the triqs U_matrix operator routine assumes F4/F2=0.625

postprocessing.eval_U_cRPA_RESPACK.read_interaction(seed, path='./')[source]

class postprocessing.eval_U_cRPA_RESPACK.respack_data(path, seed)[source]: respack data class

Classes

respack_data(path, seed) respack data class