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Coul_cut_2D_ph.f90
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indexes nl now taken from fft type
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2017-12-24 15:24:26 +01:00 |
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Makefile
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clean TDDFPT/src/lr_readin.f90
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2019-08-05 09:36:46 +02:00 |
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adddvepsi_us.f90
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more changes at the smmothing of beta- and q-funcions
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2017-07-15 23:16:18 +00:00 |
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adddvscf.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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addusdbec.f90
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Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
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2016-06-12 17:26:36 +00:00 |
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addusdbec_nc.f90
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Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
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2016-06-12 17:26:36 +00:00 |
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addusldos.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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apply_dpot.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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cft_wave.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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cg_psi.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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cgsolve_all.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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ch_psi_all.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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check_q_points_sym.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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commutator_Hx_psi.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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commutator_Vhubx_psi.f90
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Would-be fix (?) for bug in phonon code with LSDA and core corrections:
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2019-05-24 21:36:13 +00:00 |
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compute_vsgga.f90
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init_xc removed except in funct.f90 and other adjustments
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2019-06-10 16:00:23 +00:00 |
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dfpt_tetra_mod.f90
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Time reversal symmetry was detected incorrectly for the phonon+restart case.
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2019-06-19 15:47:03 +09:00 |
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dgradcorr.f90
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Out-of-bound error when converting (tot,magn) to (up,down) rho.
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2019-06-06 12:52:16 +00:00 |
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dnonloccorr.f90
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Believe it or not, CMPLX(0.d0,0.d0) /= (0.d0,0.d0) : the latter is a double
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2017-02-17 13:11:41 +00:00 |
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dv_of_drho.f90
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full lsda rho conversion
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2019-01-21 12:02:37 +01:00 |
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dv_rVV10.f90
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Cleanup of parallel modules:
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2019-01-31 15:51:00 +01:00 |
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dv_vdW_DF.f90
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Cleanup of parallel modules:
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2019-01-31 15:51:00 +01:00 |
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dynmat_sub.f90
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Splitting of the program dynmat.f90.
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2016-05-04 15:31:48 +00:00 |
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h_prec.f90
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Cleanup of parallel modules:
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2019-01-31 15:51:00 +01:00 |
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incdrhoscf.f90
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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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incdrhoscf_nc.f90
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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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lanczos_nonhermitian.f90
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clean TDDFPT/src/lr_readin.f90
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2019-08-05 09:36:46 +02:00 |
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lanczos_pseudohermitian.f90
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clean TDDFPT/src/lr_readin.f90
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2019-08-05 09:36:46 +02:00 |
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localdos.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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lr_addusddens.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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lr_dot.f90
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create ph_lanczos_iter.f90 and bo_lanczos_iter.f90;
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2019-08-02 16:48:10 +02:00 |
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lr_orthoUwfc.f90
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Cleanup of parallel modules:
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2019-01-31 15:51:00 +01:00 |
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lr_sm1_psi.f90
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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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lrcom.f90
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Out-of-bound error when converting (tot,magn) to (up,down) rho.
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2019-06-06 12:52:16 +00:00 |
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make.depend
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No need to add a new variable "isolveph" containing information on the
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2019-08-07 19:46:20 +02:00 |
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mix_pot.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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mode_group.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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newdq.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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orthogonalize.f90
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Second copy of "set_bgrp_index" replaced by generic routine "divide"
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2017-12-23 22:28:53 +01:00 |
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qdipol_cryst.f90
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Copying the routine qdipol_cryst.f90 from PHonon/PH to LR_Modules
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2016-02-28 13:09:03 +00:00 |
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set_dbecsum_nc.f90
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set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
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2016-01-22 03:00:30 +00:00 |
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set_int3_nc.f90
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set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
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2016-01-22 03:00:30 +00:00 |
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set_small_group_of_q.f90
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Variable "ftau" (fractional translations in FFT grid units) is a source
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2019-04-08 21:19:02 +02:00 |
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setqmod.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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setup_alpha_pv.f90
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Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura
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2016-12-23 12:49:16 +00:00 |
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setup_dgc.f90
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init_xc removed and some clean-up
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2019-06-25 14:44:26 +02:00 |
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setup_dmuxc.f90
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init_xc removed except in funct.f90 and other adjustments
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2019-06-10 16:00:23 +00:00 |
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setup_nbnd_occ.f90
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Bugfix in PHonon when a constrained magnetization is used for insulators
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2017-10-16 09:04:26 +00:00 |
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setup_nscf.f90
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Subspace size for Davidson diagonalization in phonon code reverted to 4:
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2019-08-09 08:44:38 +02:00 |
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setup_offset_beta.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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sgam_lr.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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smallgq.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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star_q.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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