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Makefile
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XClib - lib name changed
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2021-01-06 15:36:00 +01:00 |
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hp_R_points.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_allocate_q.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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hp_bcast_input.f90
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Removal of USE input_parameters
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2019-07-13 21:23:32 +02:00 |
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hp_calc_chi.f90
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HP: Fix type mismatch errors
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2019-07-23 11:09:44 -04:00 |
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hp_check_pert.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_check_type.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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hp_clean_q.f90
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twfcollect variable deleted. It is still mentioned here and there, still written
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2019-01-26 18:26:16 +01:00 |
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hp_close_q.f90
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Revert "Merge branch 'revert-c395d46c' into 'develop'"
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2021-04-03 12:26:30 +09:00 |
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hp_dealloc_1.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_dealloc_2.f90
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1. Extension of the HP code to compute also inter-site V (DFT+U+V case)
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2020-04-17 11:01:51 +00:00 |
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hp_dealloc_q.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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hp_dnsq.f90
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Revert "Merge branch 'revert-c25e9f31' into 'develop'"
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2020-02-01 09:14:20 +00:00 |
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hp_dnstot_sum_q.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_dvpsi_pert.f90
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Revert "Merge branch 'revert-c25e9f31' into 'develop'"
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2020-02-01 09:14:20 +00:00 |
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hp_efermi_shift.f90
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More cleanp of unused variables
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2020-01-13 14:49:31 +00:00 |
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hp_find_inequiv_sites.f90
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Changes in TDDFPT related to recent extension of
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2019-05-14 12:28:26 +02:00 |
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hp_generate_grids.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_init.f90
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HP: Changed name of some input variables to make then more
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2018-08-30 18:20:33 +02:00 |
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hp_init_q.f90
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More cleanp of unused variables
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2020-01-13 14:49:31 +00:00 |
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hp_load_q.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_main.f90
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Added new references for the HP code
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2021-02-10 16:52:57 +01:00 |
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hp_ns_trace.f90
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1) Some optimization of Hubbard force and stress
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2020-07-02 17:26:28 +02:00 |
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hp_openfil_q.f90
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Revert "Merge branch 'revert-c395d46c' into 'develop'"
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2021-04-03 12:26:30 +09:00 |
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hp_postproc.f90
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Minor fix for the DFT+U case
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2020-11-11 10:24:38 +01:00 |
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hp_prepare_q.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_print_clock.f90
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1. Extension of the HP code to compute also inter-site V (DFT+U+V case)
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2020-04-17 11:01:51 +00:00 |
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hp_psymdvscf.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_q_points.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_read_chi.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_read_dnsq.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_readin.f90
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Renaming of some routines for atomic wavefunctions:
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2021-04-15 09:40:53 +02:00 |
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hp_rotate_dnsq.f90
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Bugfix in HP: there was a small bug
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2019-01-13 12:01:53 +01:00 |
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hp_run_nscf.f90
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Removal of unused variables
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2019-08-21 09:51:27 +02:00 |
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hp_setup_q.f90
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Once again a compilation problem
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2019-04-09 18:56:36 +02:00 |
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hp_solve_linear_system.f90
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Add wrapper for cft_wave + apply_dpot
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2021-02-23 17:31:52 +00:00 |
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hp_stop_smoothly.f90
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Implementation of the new code hp.x to compute Hubbard U from DFPT.
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2018-08-29 14:54:42 +02:00 |
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hp_summary.f90
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1. Extension of the HP code to compute also inter-site V (DFT+U+V case)
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2020-04-17 11:01:51 +00:00 |
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hp_summary_q.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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hp_symdnsq.f90
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Bugfix in DFPT+U and HP: there was a small bug
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2018-11-29 12:32:02 +01:00 |
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hp_symdvscf.f90
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Cleanup of symmetrization in real space:
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2020-06-09 15:03:34 +02:00 |
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hp_write_chi.f90
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Change the format of printing chi matrices in HP
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2021-07-09 17:25:20 +00:00 |
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hp_write_chi_full.f90
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Change the format of printing chi matrices in HP
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2021-07-09 17:25:20 +00:00 |
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hp_write_dnsq.f90
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Change the format of printing chi matrices in HP
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2021-07-09 17:25:20 +00:00 |
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hpcom.f90
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1. Extension of the HP code to compute also inter-site V (DFT+U+V case)
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2020-04-17 11:01:51 +00:00 |
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make.depend
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Revert "Merge branch 'revert-c395d46c' into 'develop'"
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2021-04-03 12:26:30 +09:00 |
43df6f5c70