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mirror of https://github.com/pfloos/quack synced 2024-12-24 13:23:38 +01:00
QuAcK/src/MBPT
2021-10-16 15:36:24 +02:00
..
Bethe_Salpeter_A_matrix_dynamic.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
Bethe_Salpeter_A_matrix.f90 fix bug in evGT 2021-09-27 15:57:26 +02:00
Bethe_Salpeter_AB_matrix_dynamic.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
Bethe_Salpeter_B_matrix.f90 fix bug in evGT 2021-09-27 15:57:26 +02:00
Bethe_Salpeter_dynamic_perturbation_iterative.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
Bethe_Salpeter_dynamic_perturbation.f90 UVWN3 for Gaussian B3LYP 2021-02-25 10:55:08 +01:00
Bethe_Salpeter_Tmatrix.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
Bethe_Salpeter_ZA_matrix_dynamic.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
Bethe_Salpeter_ZAB_matrix_dynamic.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
Bethe_Salpeter.f90 working on BSE@GT 2021-10-15 13:51:04 +02:00
dSigmaC.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
dUSigmaC.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
evGT.f90 OK for BSE@evGT 2021-10-16 15:36:24 +02:00
evGW.f90 debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
evUGW.f90 OK for RPA/RPAx/GW 2021-04-02 09:53:23 +02:00
exchange_matrix_MO_basis.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
excitation_density_RI.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
excitation_density_SOSEX_RI.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
excitation_density_SOSEX.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
excitation_density_Tmatrix.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
excitation_density.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
G0T0.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
G0W0.f90 correcting printing error in G0W0 2021-09-09 15:10:19 +02:00
Makefile bug in makefile debug 2020-10-14 16:02:09 +02:00
plot_GW.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
print_evGT.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
print_evGW.f90 clean up print GW 2020-11-03 22:07:16 +01:00
print_evUGW.f90 debug GM correlation energy 2020-11-04 14:47:45 +01:00
print_G0T0.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
print_G0W0.f90 clean up print GW 2020-11-03 22:07:16 +01:00
print_qsGW.f90 debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
print_qsUGW.f90 debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
print_UG0W0.f90 debug GM correlation energy 2020-11-04 14:47:45 +01:00
QP_graph.f90 fix QP graph 2021-02-15 22:15:30 +01:00
QP_roots.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
qsGW_PT.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
qsGW.f90 qsGW 2021-06-25 10:19:42 +02:00
qsUGW.f90 qsGW 2021-06-25 10:19:42 +02:00
renormalization_factor_Tmatrix.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
renormalization_factor.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
Sangalli_A_matrix_dynamic.f90.x qsUGW works 2020-10-21 12:59:02 +02:00
Sangalli_dynamic_perturbation.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
self_energy_correlation_diag.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
self_energy_correlation.f90 fixing up qsGW Ec 2021-03-01 14:55:29 +01:00
self_energy_exchange_diag.f90 Vxc in GW 2021-02-15 17:27:06 +01:00
self_energy_exchange.f90 Vxc in GW 2021-02-15 17:27:06 +01:00
self_energy_Tmatrix_diag.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
self_energy_Tmatrix.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
SigmaC.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
static_screening_WA.f90 static screening 2021-03-05 17:29:52 +01:00
static_screening_WB.f90 working on BSE@GT 2021-10-15 13:51:04 +02:00
static_Tmatrix_TA.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
static_Tmatrix_TB.f90 OK for BSE@GT 2021-10-16 15:34:34 +02:00
UG0W0.f90 correcting printing error in G0W0 2021-09-09 15:10:19 +02:00
unrestricted_Bethe_Salpeter_A_matrix_dynamic.f90 bug fix in sf-BSE-dyn 2020-10-06 16:15:47 +02:00
unrestricted_Bethe_Salpeter_A_matrix.f90 S^2 spin flip almost OK 2020-10-05 23:00:56 +02:00
unrestricted_Bethe_Salpeter_B_matrix.f90 S^2 spin flip almost OK 2020-10-05 23:00:56 +02:00
unrestricted_Bethe_Salpeter_dynamic_perturbation.f90 UVWN3 for Gaussian B3LYP 2021-02-25 10:55:08 +01:00
unrestricted_Bethe_Salpeter_ZA_matrix_dynamic.f90 bug fix in sf-BSE-dyn 2020-10-06 16:15:47 +02:00
unrestricted_Bethe_Salpeter.f90 UVWN3 for Gaussian B3LYP 2021-02-25 10:55:08 +01:00
unrestricted_excitation_density.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
unrestricted_QP_graph.f90 fix QP graph 2021-02-15 22:15:30 +01:00
unrestricted_renormalization_factor.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
unrestricted_self_energy_correlation_diag.f90 debug GM correlation energy 2020-11-04 14:47:45 +01:00
unrestricted_self_energy_correlation.f90 fixing up qsGW Ec 2021-03-01 14:55:29 +01:00
USigmaC.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00