From 5686ca0d741a56c2e65f5e2937d22a5ec3fe7ba1 Mon Sep 17 00:00:00 2001 From: the-hampel Date: Thu, 29 Aug 2024 21:21:25 +0200 Subject: [PATCH] [fix] small bug in SOC calculation --- python/solid_dmft/dmft_tools/interaction_hamiltonian.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/python/solid_dmft/dmft_tools/interaction_hamiltonian.py b/python/solid_dmft/dmft_tools/interaction_hamiltonian.py index daeac30f..1335e743 100644 --- a/python/solid_dmft/dmft_tools/interaction_hamiltonian.py +++ b/python/solid_dmft/dmft_tools/interaction_hamiltonian.py @@ -556,8 +556,7 @@ def construct(sum_k, general_params, solver_type_per_imp, gw_params=None): Umat_full = _generate_four_index_u_matrix(sum_k, general_params, icrsh) if sum_k.SO == 1: - Umat_full = [_adapt_U_4index_for_SO(Umat_full_per_imp) - for Umat_full_per_imp in Umat_full] + Umat_full = _adapt_U_4index_for_SO(Umat_full) # Rotates the interaction matrix Umat_full_rotated = _rotate_four_index_matrix(sum_k, general_params, Umat_full, icrsh)