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CMakeLists.txt
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fix LR_Modules/CMakeLists.txt
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2021-05-28 16:26:09 +02:00 |
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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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fix the print preamble
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2021-05-28 16:26:09 +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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Developments on the LR_Modules routines to implement the calculation of the phonon frequencies in the noncollinear magnetic case. Note: the calculation of the Born effective charges does not work in this case yet, it will be fixed by a further development
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2020-01-29 14:53:00 +01:00 |
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addusddenseq.f90
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fix uspp bug
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2020-07-15 11:03:36 +02:00 |
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addusldos.f90
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Interpolation table in G space
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2020-03-12 22:05:47 +01:00 |
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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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apply_dpot_mod.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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ccg_psi.f90
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fix noncolinear case
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2020-07-29 15:13:55 +02:00 |
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ccgsolve_all.f90
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fix noncolinear case
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2020-07-29 15:13:55 +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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More removal of zdotc - may or may not work (I think it will)
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2020-07-12 10:16:22 +02:00 |
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ch_psi_all.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +01:00 |
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ch_psi_all_complex.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +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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compute_vsgga.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +01:00 |
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dfpt_tetra_mod.f90
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Previous fix would not work with degenerate eigenvalues
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2020-04-26 14:48:59 +00:00 |
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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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Minor changes: comments, removal of commented out lines
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2021-01-06 16:06:22 +01:00 |
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dv_of_drho.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +01:00 |
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dv_rVV10.f90
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Calculate vdW kernel on the fly: fourth commit
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2019-09-23 14:50:52 -04:00 |
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dv_vdW_DF.f90
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vdW-DF: Implementing vdW-DF3-opt1, vdW-DF3-opt2, and vdW-DF-C6 & inlc cleanup
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2020-05-21 12:49:41 -04:00 |
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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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Bug fixes:
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2020-07-03 17:40:46 +00:00 |
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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_nonhermitian_c.f90
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move some routines to LR_MODULES
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2021-05-28 16:26:09 +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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lanczos_pseudohermitian_c.f90
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move some routines to LR_MODULES
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2021-05-28 16:26:09 +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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Interpolation table in G space
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2020-03-12 22:05:47 +01:00 |
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lr_dot.f90
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One more (in capital letters)
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2020-07-12 10:21:16 +02:00 |
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lr_dot_magnons.f90
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move some routines to LR_MODULES
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2021-05-28 16:26:09 +02:00 |
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lr_orthoUwfc.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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lr_sm1_psi.f90
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turboEELS with noncolin=.true. and lspinorb=.false.
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2020-07-29 16:01:00 +02:00 |
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lr_sym_mod.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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lrcom.f90
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move some routines to LR_MODULES
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2021-05-28 16:26:09 +02:00 |
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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 |
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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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More removal of zdotc - may or may not work (I think it will)
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2020-07-12 10:16:22 +02:00 |
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orthogonalize.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +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_intq_nc.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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set_kplusq_nc.f90
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Developments on the LR_Modules routines to implement the calculation of the phonon frequencies in the noncollinear magnetic case. Note: the calculation of the Born effective charges does not work in this case yet, it will be fixed by a further development
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2020-01-29 14:53:00 +01:00 |
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set_small_group_of_q.f90
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Incorrect detection of inversion symmetry in phonons fixed (Phil Wang, JHU).
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2020-08-03 19:20:31 +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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XClib - all in module xc_lib
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2021-01-06 15:42:52 +01:00 |
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setup_dmuxc.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +01:00 |
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setup_nbnd_occ.f90
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move some routines to LR_MODULES
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2021-05-28 16:26:09 +02:00 |
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setup_nscf.f90
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init_us_1 moved to upflib
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2021-01-16 01:07:21 +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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Developments on the LR_Modules routines to implement the calculation of the phonon frequencies in the noncollinear magnetic case. Note: the calculation of the Born effective charges does not work in this case yet, it will be fixed by a further development
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2020-01-29 14:53:00 +01:00 |
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star_q.f90
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Missing variables initialization.
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2020-08-13 18:44:33 +02:00 |
c87cf18e22