Commit 34dde1d
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- tests/benchmarks
- test_cli_run_si[inprocess]0/01-dftcp
- 01-dft_nspin1
- 02-dft_nspin2_dummy
- 03-convert_files_from_spin1to2
- 04-dft_nspin2
- test_cli_run_si_with_logs[inprocess]0/01-dftcp
- 01-dft_nspin1
- 02-dft_nspin2_dummy
- 03-convert_files_from_spin1to2
- 04-dft_nspin2
- test_compute_power_spectrum_process0
- test_convert_files_from_spin_1_to_2_process0
- test_convert_files_from_spin_2_to_1_process0
- test_extract_coefficients_from_xml_process0
- test_ml_train_water[False-mean-orbital_density]0
- 01-koopmans-dscf-snapshot-1-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 02-koopmans-dscf-snapshot-2-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 03-koopmans-dscf-snapshot-3-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 04-koopmans-dscf-snapshot-4-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 05-koopmans-dscf-snapshot-5-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- test_ml_train_water[False-mean-self_hartree]0
- 01-koopmans-dscf-snapshot-1-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 02-koopmans-dscf-snapshot-2-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 03-koopmans-dscf-snapshot-3-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 04-koopmans-dscf-snapshot-4-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 05-koopmans-dscf-snapshot-5-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- test_ml_train_water[False-ridge_regression-orbital_density]0
- 01-koopmans-dscf-snapshot-1-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-power-spectrum-decomposition
- 01-convert-orbital-files-to-xml
- 01-bin2xml_total_density
- 02-bin2xml_occ_spin_0_orb_1_density
- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
- 06-bin2xml_emp_spin_0_orb_5_density
- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
- 06-compute_power_spectrum_orbital_4
- 07-compute_power_spectrum_orbital_5
- 08-compute_power_spectrum_orbital_6
- 03-orbital-1/01-dft_n-1
- 04-orbital-2/01-dft_n-1
- 05-orbital-3/01-dft_n-1
- 06-orbital-4/01-dft_n-1
- 07-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 08-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 02-koopmans-dscf-snapshot-2-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-power-spectrum-decomposition
- 01-convert-orbital-files-to-xml
- 01-bin2xml_total_density
- 02-bin2xml_occ_spin_0_orb_1_density
- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
- 06-bin2xml_emp_spin_0_orb_5_density
- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
- 06-compute_power_spectrum_orbital_4
- 07-compute_power_spectrum_orbital_5
- 08-compute_power_spectrum_orbital_6
- 03-orbital-1/01-dft_n-1
- 04-orbital-2/01-dft_n-1
- 05-orbital-3/01-dft_n-1
- 06-orbital-4/01-dft_n-1
- 07-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 08-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 03-koopmans-dscf-snapshot-3-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-power-spectrum-decomposition
- 01-convert-orbital-files-to-xml
- 01-bin2xml_total_density
- 02-bin2xml_occ_spin_0_orb_1_density
- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
- 06-bin2xml_emp_spin_0_orb_5_density
- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
- 06-compute_power_spectrum_orbital_4
- 07-compute_power_spectrum_orbital_5
- 08-compute_power_spectrum_orbital_6
- 03-orbital-1/01-dft_n-1
- 04-orbital-2/01-dft_n-1
- 05-orbital-3/01-dft_n-1
- 06-orbital-4/01-dft_n-1
- 07-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 08-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 04-koopmans-dscf-snapshot-4-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-power-spectrum-decomposition
- 01-convert-orbital-files-to-xml
- 01-bin2xml_total_density
- 02-bin2xml_occ_spin_0_orb_1_density
- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
- 06-bin2xml_emp_spin_0_orb_5_density
- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
- 06-compute_power_spectrum_orbital_4
- 07-compute_power_spectrum_orbital_5
- 08-compute_power_spectrum_orbital_6
- 03-orbital-1/01-dft_n-1
- 04-orbital-2/01-dft_n-1
- 05-orbital-3/01-dft_n-1
- 06-orbital-4/01-dft_n-1
- 07-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 08-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 05-koopmans-dscf-snapshot-5-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-power-spectrum-decomposition
- 01-convert-orbital-files-to-xml
- 01-bin2xml_total_density
- 02-bin2xml_occ_spin_0_orb_1_density
- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
- 06-bin2xml_emp_spin_0_orb_5_density
- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
- 06-compute_power_spectrum_orbital_4
- 07-compute_power_spectrum_orbital_5
- 08-compute_power_spectrum_orbital_6
- 03-orbital-1/01-dft_n-1
- 04-orbital-2/01-dft_n-1
- 05-orbital-3/01-dft_n-1
- 06-orbital-4/01-dft_n-1
- 07-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 08-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- test_ml_train_water[False-ridge_regression-self_hartree]0
- 01-koopmans-dscf-snapshot-1-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
- 03-orbital-2/01-dft_n-1
- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
- 06-orbital-5
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 07-orbital-6
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 02-koopmans-dscf-snapshot-2-of-5
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-1/01-dft_n-1
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- 04-orbital-3/01-dft_n-1
- 05-orbital-4/01-dft_n-1
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- 03-koopmans-dscf-snapshot-3-of-5
- 01-initialization
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- 02-pw2wannier90
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- 03-orbital-2/01-dft_n-1
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- 02-pz_print
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- 01-koopmans-dscf-snapshot-1-of-5
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- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
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- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
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- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
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- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
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- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
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- 08-compute_power_spectrum_orbital_6
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- 03-bin2xml_occ_spin_0_orb_2_density
- 04-bin2xml_occ_spin_0_orb_3_density
- 05-bin2xml_occ_spin_0_orb_4_density
- 06-bin2xml_emp_spin_0_orb_5_density
- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
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- 03-dft_dummy
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- 02-calculate-screening-via-dscf/01-iteration-1
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- 02-power-spectrum-decomposition
- 01-convert-orbital-files-to-xml
- 01-bin2xml_total_density
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- 07-bin2xml_emp_spin_0_orb_6_density
- 02-extract_coefficients_from_xml
- 03-compute_power_spectrum_orbital_1
- 04-compute_power_spectrum_orbital_2
- 05-compute_power_spectrum_orbital_3
- 06-compute_power_spectrum_orbital_4
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- 08-compute_power_spectrum_orbital_6
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- test_ml_train_water[True-ridge_regression-self_hartree]0
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- 07-orbital-6
- 01-dft_n+1_dummy
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- 03-ki_final
- test_singlepoint_si_ki_dfpt_explicit0/01-koopmans-dfpt
- 01-wannierize
- 01-scf
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- 02-pw2wannier90
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- 01-wannierize
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- 04-wannierize-block-2
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- 05-bands
- 02-unfold_and_interpolate_occ
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- test_singlepoint_si_ki_dscf[False]0/01-koopmans-dscf
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
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- 03-orbital-33
- 01-dft_n+1_dummy
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- 03-ki_final
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- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
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- 02-pw2wannier90
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- 06-projwfc
- 02-unfold_and_interpolate_occ
- 03-unfold_and_interpolate_emp
- test_singlepoint_si_ki_dscf[True]0/01-koopmans-dscf
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1-spin-up
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2-spin-up
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 05-wannierize-block-1-spin-down
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 06-wannierize-block-2-spin-down
- 01-wannier90_preproc
- 02-pw2wannier90
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- 01-convert_block_1_spin_up_to_supercell
- 02-convert_block_2_spin_up_to_supercell
- 03-convert_block_1_spin_down_to_supercell
- 04-convert_block_2_spin_down_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-32-spin-1/01-dft_n-1
- 03-orbital-33-spin-1
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 04-orbital-32-spin-2/01-dft_n-1
- 05-orbital-33-spin-2
- 01-koopmans-cp-with-spin-swap/01-dft_n+1_dummy
- 02-pz_print
- 03-koopmans-cp-with-spin-swap/01-dft_n+1
- 03-ki_final
- 04-unfold-and-interpolate
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1-spin-up
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2-spin-up
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 05-wannierize-block-1-spin-down
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
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- 01-wannier90_preproc
- 02-pw2wannier90
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- 07-bands
- 08-projwfc
- 02-unfold_and_interpolate_occ_spin_up
- 03-unfold_and_interpolate_emp_spin_up
- 04-unfold_and_interpolate_occ_spin_down
- 05-unfold_and_interpolate_emp_spin_down
- tutorials/tutorial_2/test_wannierize/2x2x2/01-koopmans-dscf
- 01-initialization
- 01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2
- 01-wannier90_preproc
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- 02-fold-to-supercell
- 01-convert_block_1_to_supercell
- 02-convert_block_2_to_supercell
- 03-dft_dummy
- 04-dft_init
- 02-calculate-screening-via-dscf/01-iteration-1
- 01-ki
- 02-orbital-32/01-dft_n-1
- 03-orbital-33
- 01-dft_n+1_dummy
- 02-pz_print
- 03-dft_n+1
- 03-ki_final
- 04-unfold-and-interpolate/01-wannierize
- 01-scf
- 02-nscf
- 03-wannierize-block-1
- 01-wannier90_preproc
- 02-pw2wannier90
- 03-wannier90
- 04-wannierize-block-2/01-wannier90_preproc
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