..
CMakeLists.txt
Merge adddvscf and adddvscf_ph_mag
2021-10-04 22:42:56 +09:00
Coul_cut_2D_ph.f90
Unpredictable Ngm in phonons
2022-05-10 17:52:39 +02:00
Makefile
Merge adddvscf and adddvscf_ph_mag
2021-10-04 22:42:56 +09:00
adddvepsi_us.f90
Spin_orbit cleanup
2021-11-15 09:40:07 +01:00
adddvhubscf.f90
Ford-PHonon - part 29 - fixes
2021-09-09 10:45:15 +02:00
adddvscf.f90
Merge adddvscf and adddvscf_ph_mag
2021-10-04 22:42:56 +09:00
addusdbec.f90
Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
2016-06-12 17:26:36 +00:00
addusdbec_nc.f90
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
2020-01-29 14:53:00 +01:00
addusddenseq.f90
fix uspp bug
2020-07-15 11:03:36 +02:00
addusldos.f90
Interpolation table in G space
2020-03-12 22:05:47 +01:00
apply_dpot.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
apply_dpot_mod.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
ccg_psi.f90
Ford-PHonon - part 3
2021-09-09 10:15:47 +02:00
ccgsolve_all.f90
Some zdotc removal - PLEASE CHECK
2021-07-19 16:38:09 +02:00
cft_wave.f90
Implementation of the new code hp.x to compute Hubbard U from DFPT.
2018-08-29 14:54:42 +02:00
cg_psi.f90
Implementation of the new code hp.x to compute Hubbard U from DFPT.
2018-08-29 14:54:42 +02:00
cgsolve_all.f90
More removal of zdotc - may or may not work (I think it will)
2020-07-12 10:16:22 +02:00
ch_psi_all.f90
XClib - all in module xc_lib
2021-01-06 15:42:52 +01:00
ch_psi_all_complex.f90
XClib - all in module xc_lib
2021-01-06 15:42:52 +01:00
check_q_points_sym.f90
Implementation of the new code hp.x to compute Hubbard U from DFPT.
2018-08-29 14:54:42 +02:00
compute_vsgga.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
dfpt_tetra_mod.f90
Previous fix would not work with degenerate eigenvalues
2020-04-26 14:48:59 +00:00
dgradcorr.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
dnonloccorr.f90
Minor changes: comments, removal of commented out lines
2021-01-06 16:06:22 +01:00
dv_of_drho.f90
XClib - all in module xc_lib
2021-01-06 15:42:52 +01:00
dv_rVV10.f90
Calculate vdW kernel on the fly: fourth commit
2019-09-23 14:50:52 -04:00
dv_vdW_DF.f90
vdW-DF: Implementing vdW-DF3-opt1, vdW-DF3-opt2, and vdW-DF-C6 & inlc cleanup
2020-05-21 12:49:41 -04:00
dynmat_sub.f90
Splitting of the program dynmat.f90.
2016-05-04 15:31:48 +00:00
efermi_shift.f90
Refactor the factor of 2 in efermi_shift with PAW
2021-09-10 14:47:22 +09:00
h_prec.f90
Cleanup of parallel modules:
2019-01-31 15:51:00 +01:00
incdrhoscf.f90
Rename module wavefunctions_module to wavefunctions
2018-07-12 16:11:48 +02:00
incdrhoscf_nc.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
lanczos_nonhermitian.f90
clean TDDFPT/src/lr_readin.f90
2019-08-05 09:36:46 +02:00
lanczos_nonhermitian_c.f90
move some routines to LR_MODULES
2021-05-28 16:26:09 +02:00
lanczos_pseudohermitian.f90
clean TDDFPT/src/lr_readin.f90
2019-08-05 09:36:46 +02:00
lanczos_pseudohermitian_c.f90
move some routines to LR_MODULES
2021-05-28 16:26:09 +02:00
localdos.f90
All codes updated with USE uspp_init
2021-09-01 22:46:44 +02:00
lr_addusddens.f90
Interpolation table in G space
2020-03-12 22:05:47 +01:00
lr_dot.f90
One more (in capital letters)
2020-07-12 10:21:16 +02:00
lr_dot_magnons.f90
fix LR_MODULES/lr_dot_magnons.f90
2021-07-22 09:36:11 +02:00
lr_orthoUwfc.f90
New input hubbard
2022-02-17 21:28:26 +00:00
lr_sm1_psi.f90
Spin_orbit cleanup
2021-11-15 09:40:07 +01:00
lr_sym_mod.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
lrcom.f90
Move adddvhubscf and adddvscf_ph_mag from PH to LR_Modules. Create ldaU_lr
2021-08-30 15:38:06 +09:00
mix_pot.f90
Remove hardcoded maxter in mix_pot. Use allocatable arrays.
2021-09-17 12:49:01 +09:00
mode_group.f90
Moving some routines from PH to LR_Modules
2018-08-01 09:24:48 +00:00
newdq.f90
More removal of zdotc - may or may not work (I think it will)
2020-07-12 10:16:22 +02:00
orthogonalize.f90
XClib - all in module xc_lib
2021-01-06 15:42:52 +01:00
qdipol_cryst.f90
Spin_orbit cleanup
2021-11-15 09:40:07 +01:00
response_kernels.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
set_dbecsum_nc.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
set_int3_nc.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
set_intq_nc.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
set_kplusq_nc.f90
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
2020-01-29 14:53:00 +01:00
set_small_group_of_q.f90
Incorrect detection of inversion symmetry in phonons fixed (Phil Wang, JHU).
2020-08-03 19:20:31 +02:00
setqmod.f90
Implementation of the new code hp.x to compute Hubbard U from DFPT.
2018-08-29 14:54:42 +02:00
setup_alpha_pv.f90
Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura
2016-12-23 12:49:16 +00:00
setup_dgc.f90
xc_deriv - gga_d_wrapper with openacc
2022-04-22 13:28:33 +02:00
setup_dmuxc.f90
xc_deriv - lda ported
2022-04-22 13:28:33 +02:00
setup_nbnd_occ.f90
move some routines to LR_MODULES
2021-05-28 16:26:09 +02:00
setup_nscf.f90
Reshuffling of spin-orbit variables
2021-10-22 07:56:50 +02:00
sgam_lr.f90
Implementation of the new code hp.x to compute Hubbard U from DFPT.
2018-08-29 14:54:42 +02:00
smallgq.f90
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
2020-01-29 14:53:00 +01:00
star_q.f90
Missing variables initialization.
2020-08-13 18:44:33 +02:00