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cp2k/tests/QS/regtest-bse
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Max Graml 9cbee8b47c
Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 
Co-authored-by: Copilot <copilot@github.com>
Co-authored-by: Claude Opus 4.7 <noreply@anthropic.com>
2026-07-28 17:10:00 +02:00
..
ABBA_H2_PBE_UKS_G0W0.inp Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00
ABBA_O2_PBE_UKS_G0W0.inp Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00
BASIS_def2_TZVP_orb Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00
BASIS_def2_TZVP_rifit Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00
BASIS_DIFFUSE GW/BSE: Fix indices in case of removed null-spaces for SVDs 2025-03-04 15:55:46 +01:00
BSE_H2O_PBE_evGW.inp BSE: Minor changes for optical spectra and BSE@evGW(0) (#3628) 2024-08-13 14:26:48 +02:00
BSE_H2O_PBE_evGW0.inp BSE: Minor changes for optical spectra and BSE@evGW(0) (#3628) 2024-08-13 14:26:48 +02:00
BSE_H2O_PBE_evGW0_custom_screening.inp BSE: Add more options for setup of Casida equation 2024-12-06 11:52:36 +01:00
BSE_H2O_PBE_evGW0_RPA_screening.inp BSE: Add more options for setup of Casida equation 2024-12-06 11:52:36 +01:00
BSE_H2O_PBE_evGW0_spectra.inp BSE: Minor changes for spectra 2024-12-17 10:53:13 +01:00
BSE_H2O_PBE_evGW0_TDHF_screening.inp BSE: Add more options for setup of Casida equation 2024-12-06 11:52:36 +01:00
BSE_H2O_PBE_G0W0.inp BSE: Minor changes for optical spectra and BSE@evGW(0) (#3628) 2024-08-13 14:26:48 +02:00
BSE_H2O_PBE_G0W0_EXC_DESCR.inp BSE: new features and update manual (#3781) 2024-11-20 16:34:36 +01:00
BSE_H2O_PBE_G0W0_NTOs.inp BSE: new features and update manual (#3781) 2024-11-20 16:34:36 +01:00
H2O_gas.xyz Bethe Salpeter equation for molecules (#3308) 2024-03-08 20:30:58 +01:00
TDA_H2_PBE_G0W0_CHOLESKY_OFF.inp GW/BSE: Fix indices in case of removed null-spaces for SVDs 2025-03-04 15:55:46 +01:00
TDA_H2_PBE_UKS_KS.inp Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00
TDA_H2O_PBE_evGW.inp BSE: Minor changes for optical spectra and BSE@evGW(0) (#3628) 2024-08-13 14:26:48 +02:00
TDA_H2O_PBE_evGW0.inp BSE: Minor changes for optical spectra and BSE@evGW(0) (#3628) 2024-08-13 14:26:48 +02:00
TDA_H2O_PBE_G0W0.inp BSE: Minor changes for optical spectra and BSE@evGW(0) (#3628) 2024-08-13 14:26:48 +02:00
TDA_H2O_PBE_G0W0_EXC_DESCR.inp BSE: new features and update manual (#3781) 2024-11-20 16:34:36 +01:00
TDA_H2O_PBE_G0W0_NTOs.inp BSE: new features and update manual (#3781) 2024-11-20 16:34:36 +01:00
TDA_O2_PBE_UKS_G0W0.inp Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00
TEST_FILES.toml Initial commit of linearized real time propagation of the Bethe Salpeter equation (linRTBSE) and open-shell for the existing BSE module (#5627) 2026-07-28 17:10:00 +02:00