quantum-espresso/PHonon/PH
giannozz 8316b87d52 There was a problem in the calculation of effective charges with ultrasoft PPs
when the number of bands exceeds the number of occupied bands. Note that the Z*
are computed only for insulators, so this case is rather infrequent and results
in a crash rather than in a wrong number.
2020-09-02 11:02:07 +00:00
..
Makefile [skip-CI] Auxiliary codes q2trans.x and q2trans_fd.x are unmaintained and obsolete 2020-06-20 08:39:20 +02:00
acfdtest.f90 -npot flag to deal with potential parallelization (recently suppressed) mapped into image parallelization 2016-03-24 19:14:59 +00:00
add_dkmds.f90 There was a problem in the calculation of effective charges with ultrasoft PPs 2020-09-02 11:02:07 +00:00
add_for_charges.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
add_zstar_ue.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
add_zstar_ue_us.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
addcore.f90 new interface to fft calls 2018-01-02 17:45:45 +01:00
adddvhubscf.f90 DFPT+U: The headers in Hubbard-specific routines were not accurate, 2019-10-29 13:33:43 +00:00
adddvscf_ph_mag.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
addnlcc.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
addnlcc_zstar_eu_us.f90 full lsda rho conversion 2019-01-21 12:02:37 +01:00
addusddens.f90 Interpolation table in G space 2020-03-12 22:05:47 +01:00
addusddense.f90 Interpolation table in G space 2020-03-12 22:05:47 +01:00
addusdynmat.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
ahc.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
allocate_part.f90 Added a few variables to control the phonon calculation flow. 2013-01-22 14:45:36 +00:00
allocate_pert.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
allocate_phq.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
alpha2f.f90 opt_tetra_partialdos frnspin=1 2019-05-28 09:16:27 +02:00
apply_trev.f90 Minor changes on apply_trev 2020-02-03 20:17:37 +01:00
bcast_ph_input.f90 Implement el-ph self-energy in ph.x, add postahc.x 2020-05-03 13:49:39 +09:00
c_bands_ph.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
ccg_psi.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
cch_psi_all.f90 Last occurrence of h_psiq deleted from phonon. Still present in D3 and GWW. 2016-06-14 15:46:08 +00:00
check_if_partial_dyn.f90 module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90 2016-01-20 14:53:42 +00:00
check_initial_status.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
check_restart_recover.f90 The recent reorganization of pwscf broke the restart of ph.x inside 2013-04-17 14:55:50 +00:00
chi_test.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
clean_pw_ph.f90 module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90 2016-01-20 14:53:42 +00:00
clinear.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
close_phq.f90 Optimization of gauge fixing in ahc.f90 2020-05-13 10:27:46 +00:00
compute_alphasum.f90 becp1 variable moved form phus -> lrus 2016-01-22 01:50:14 +00:00
compute_becalp.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
compute_becsum_ph.f90 becp1 variable moved form phus -> lrus 2016-01-22 01:50:14 +00:00
compute_drhous.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
compute_drhous_nc.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
compute_dvloc.f90 new interface to fft calls 2018-01-02 17:45:45 +01:00
compute_nldyn.f90 more changes at the smmothing of beta- and q-funcions 2017-07-15 23:16:18 +00:00
compute_weight.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
d2ionq.f90 New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation. 2017-10-25 10:40:59 +00:00
d2ionq_disp.f90 reduce the amount of info written to the xdm.dat file 2019-08-07 15:10:19 +02:00
d2mxc.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
d2nsq_bare.f90 Removed unused references to ZDOTC and to "exxinit" 2020-01-09 10:07:39 +00:00
davcio_drho.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
deallocate_part.f90 Added a few variables to control the phonon calculation flow. 2013-01-22 14:45:36 +00:00
deallocate_phq.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
delta_sphi.f90 More mp_global cleanup: PHonon, GWW 2019-01-31 22:09:24 +01:00
dfile_autoname.f90 xlf syntax is actually the good one 2013-03-11 10:29:33 +00:00
dfile_star.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
dhdrhopsi.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
dielec.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
dielec_test.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
dnsq_bare.f90 More removal of unused references to DDOT 2020-01-09 15:33:14 +00:00
dnsq_orth.f90 More mp_global cleanup: PHonon, GWW 2019-01-31 22:09:24 +01:00
dnsq_scf.f90 More removal of unused references to DDOT 2020-01-09 15:33:14 +00:00
do_phonon.f90 Implement el-ph self-energy in ph.x, add postahc.x 2020-05-03 13:49:39 +09:00
do_q2r.f90 Revert "Auxiliary file fildyn.0 is never in xml format even if fildyn.N.xml files are" 2020-06-29 14:53:40 +00:00
dpsi_orth.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
drho.f90 Oops 2020-07-18 13:28:47 +00:00
drhodv.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
drhodvloc.f90 Mismatched dimensions in one of the calls to dot_product 2020-07-18 09:39:32 +00:00
drhodvnl.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
drhodvus.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
dvanqq.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
dvkb3.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
dvpsi_e.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
dvpsi_e2.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
dvqhub_barepsi_us.f90 DFPT+U: The headers in Hubbard-specific routines were not accurate, 2019-10-29 13:33:43 +00:00
dvqhub_barepsi_us2.f90 DFPT+U: The headers in Hubbard-specific routines were not accurate, 2019-10-29 13:33:43 +00:00
dvqpsi_us.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
dvqpsi_us_only.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
dvscf_interpolate.f90 Implement el-ph self-energy in ph.x, add postahc.x 2020-05-03 13:49:39 +09:00
dvscf_q2r.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
dwfc.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
dyndia.f90 Misleading printouts "omega(N)=" replaced by "freq (N)=": what is (or should 2013-02-15 12:22:55 +00:00
dynmat.f90 Missing initialization to false of new variable loto_2d broke dynmat.x 2018-03-19 20:43:22 +01:00
dynmat0.f90 merged the D2 (d2ionq_mm) and XDM (d2ionq_mm) code for the dynamical matrix contribution in ph.x (now: d2ionq_disp) 2019-08-07 14:24:38 +02:00
dynmat_hub_bare.f90 The input parameters (for restarting DFPT+U calculations) read_dns_bare 2019-04-22 16:46:54 +02:00
dynmat_hub_scf.f90 The input parameters (for restarting DFPT+U calculations) read_dns_bare 2019-04-22 16:46:54 +02:00
dynmat_us.f90 Removal of unused variables, added one ONLY 2020-01-13 12:25:42 +00:00
dynmatcc.f90 full lsda rho conversion 2019-01-21 12:02:37 +01:00
dynmatrix.f90 Some corrections needed to pass the tests: 2020-02-28 16:28:23 +00:00
ef_shift.f90 Avoid divisions by zero 2020-04-26 13:59:11 +00:00
el_opt.f90 npw should no longer ne used as global variabe 2017-05-25 14:08:31 +00:00
el_ph_collect.f90 mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code. 2014-01-07 15:46:06 +00:00
elph.f90 EPA method. 2018-06-13 13:13:46 -07:00
elph_scdft_mod.f90 nl indexes now in fft type 2017-12-24 15:43:44 +01:00
elph_tetra_mod.f90 Electron-Phonon nsigma fix 2019-10-03 15:06:34 +00:00
elphon.f90 Fixed the correct handling (writing and reading) of dnsscf in DFPT+U. 2020-06-24 15:53:31 +02:00
ep_matrix_element_wannier.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
epa.f90 Revert "Merge branch 'revert-c25e9f31' into 'develop'" 2020-02-01 09:14:20 +00:00
find_equiv_sites.f90 Removed fixed dimensions "nax". Note that this changes the way routine 2012-11-23 11:02:28 +00:00
find_irrep.f90 Change necessary due to recent reorganization. 2012-08-16 09:08:23 +00:00
find_mode_sym.f90 Several print format extended to allow more than 999 phonon modes (!) 2020-03-26 09:23:34 +01:00
fqha.f90 Fixes for NAG Fortran compiler -- courtesy of Samuel Poncé and Henry Lambert (Oxford) 2015-09-22 20:24:28 +00:00
generate_dynamical_matrix_c.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
generate_effective_charges_c.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
gmressolve_all.f90 ifdef preprocessor macro refactoring (PHonon package) 2016-09-14 20:20:07 +00:00
hdiag.f90 routine h_1psi renamed hs_1psi because this is what it does ! 2018-08-07 20:45:56 +02:00
incdrhous.f90 nl indexes now in fft type 2017-12-24 15:43:44 +01:00
incdrhous_nc.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
init_representations.f90 Variable "ftau" (fractional translations in FFT grid units) is a source 2019-04-08 21:19:02 +02:00
initialize_ph.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
io_dyn_mat.f90 Solve issue with xml levels. 2020-08-12 19:44:40 +02:00
io_dyn_mat_old.f90 Yet another ill-conceived format, noticed by Mauro Sgroi 2020-06-11 19:13:33 +02:00
io_pattern.f90 More ordering of variable definitions 2015-09-17 08:51:10 +00:00
lambda.f90 First compiling version of QE with initial "pseudolib" in upflib/. 2020-04-25 19:13:15 +00:00
make.depend make.depend files and related script updated 2020-08-17 19:04:40 +02:00
matdyn.f90 Add loto_disable flag in matdyn.x 2020-04-05 08:15:55 +00:00
non_scf_ph.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
obsolete.f90 More mp_global cleanup: PHonon, GWW 2019-01-31 22:09:24 +01:00
openfilq.f90 Fixed the correct handling (writing and reading) of dnsscf in DFPT+U. 2020-06-24 15:53:31 +02:00
pcgreen.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
ph_restart.f90 Too many tags closed in electron-phonon data file 2020-08-25 17:58:43 +02:00
phcom.f90 Module modes brought back to where it belong. Dependencies updated 2020-07-15 07:27:17 +00:00
phescf.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
phonon.f90 Revert "Merge branch 'revert-c25e9f31' into 'develop'" 2020-02-01 09:14:20 +00:00
phq_init.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
phq_readin.f90 ionode => meta_ionode 2020-08-09 22:44:00 +02:00
phq_recover.f90 ch_psi_all.f90 moved to LR_Modules, 2016-01-20 08:13:57 +00:00
phq_setup.f90 Under some not-so-unusual circumstances: ibrav=0 or ibrav corresponding to a 2020-06-08 18:40:55 +02:00
phq_summary.f90 More format extensions 2020-03-26 12:24:28 +01:00
phqscf.f90 More format extensions 2020-03-26 12:24:28 +01:00
polariz.f90 More removal of index I/O (iunigk) 2016-06-13 09:59:33 +00:00
postahc.f90 Implement el-ph self-energy in ph.x, add postahc.x 2020-05-03 13:49:39 +09:00
prepare_q.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
prepare_sym_analysis.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
print_clock_ph.f90 Implement el-ph self-energy in ph.x, add postahc.x 2020-05-03 13:49:39 +09:00
psidspsi.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00
psym_dmag.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
psym_dmage.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
psymdvscf.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
psyme.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
psyme2.f90 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
punch_plot_e.f90 Phonon (hopefully) fixed 2016-01-14 16:10:11 +00:00
q2qstar.f90 New UPF tool and a few minor fixes 2019-09-20 12:57:10 +00:00
q2qstar_ph.f90 Cleanup. Repeated software moved to separate routines. 2013-01-19 17:20:23 +00:00
q2r.f90 Electron-Phonon nsigma fix 2019-10-03 15:06:34 +00:00
q_points.f90 EPA method. 2018-06-13 13:13:46 -07:00
q_points_wannier.f90 mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code. 2014-01-07 15:46:06 +00:00
raman.f90 Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura 2016-12-23 12:49:16 +00:00
raman_mat.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
ramanm.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
random_matrix.f90 [skip-CI] Minor fixes and updates 2020-05-07 12:52:55 +02:00
read_wfc_rspace_and_fwfft.f90 nl indexes now in fft type 2017-12-24 15:43:44 +01:00
rigid.f90 Improved robustness of EPW (S. Ponce and C. Verdi) 2018-07-01 12:12:38 +01:00
rotate_and_add_dyn.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
rotate_dvscf_star.f90 Bug fix: problem with clocks. 2013-01-07 14:17:02 +00:00
rotate_pattern_add.f90 smallg_q moved in set_small_group_of_q and other small changes. 2013-03-27 08:12:35 +00:00
run_nscf.f90 Implement el-ph self-energy in ph.x, add postahc.x 2020-05-03 13:49:39 +09:00
save_ph_input.f90 Harmless bug fix: in some dispersion calculations the symmetry analysis 2013-01-07 13:30:36 +00:00
set_asr_c.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
set_drhoc.f90 Misc spelling errors 2017-10-25 20:08:57 +00:00
set_dvscf.f90 define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib 2018-01-08 23:02:08 +01:00
set_int12_nc.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
set_irr.f90 Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case 2020-01-29 14:53:00 +01:00
set_irr_nosym.f90 Small changes. Do not search symmetry with a single mode calculation, and print 2012-08-16 08:48:27 +00:00
set_irr_sym.f90 Not sure whether this is the correct fix, but I am sure it wasn't correct 2020-04-22 07:08:41 +00:00
setlocq.f90 New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation. 2017-10-25 10:40:59 +00:00
solve_e.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
solve_e2.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
solve_e_fpol.f90 Moving some routines from PH to LR_Modules 2018-08-01 09:24:48 +00:00
solve_e_nscf.f90 Rename module wavefunctions_module to wavefunctions 2018-07-12 16:11:48 +02:00
solve_linter.f90 Fixed error check in solve_linter.f90 2020-05-21 16:52:15 +00:00
stop_ph.f90 In order to prefent further trouble, set_mpi_comm_4_solvers and its 2019-02-27 22:18:23 +01:00
summarize.f90 Moved the "lrpa" variable from the module "control_ph" to the module "control_lr". 2016-02-20 17:34:35 +00:00
swfc.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
sym_and_write_zue.f90 A general cleanup of the files .xml written by ph.x. A first tentative to 2013-01-24 17:59:05 +00:00
sym_def.f90 module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90 2016-01-20 14:53:42 +00:00
sym_dmag.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
sym_dmage.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
sym_dns.f90 1) Added references for the HP code 2020-06-23 17:53:59 +02:00
sym_dns_wrapper.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
symdvscf.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
symdyn_munu.f90 Cleanup. Repeated software moved to separate routines. 2013-01-19 17:20:23 +00:00
symdynph_gq.f90 Update on comments related to the main modifications introduced for the non-collinear magnetic case 2020-02-04 10:29:36 +01:00
syme.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
syme2.f90 Cleanup of symmetrization in real space: 2020-06-09 15:03:34 +02:00
syme_dns.f90 Bugfix in DFPT+U and HP: there was a small bug 2018-11-29 12:32:02 +01:00
symm.f90 Optimized routine that symmetrizes the matrix of electron-phonon coefficients 2019-10-03 09:29:03 +00:00
symmorphic_or_nzb.f90 Ooops ... phonon was broken by my last change 2019-04-09 10:26:04 +02:00
tra_write_matrix.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
transform_alphasum_nc.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
transform_alphasum_so.f90 Cleanup: Array ijtoh used everywhere instead of the function find_ijh. 2012-01-19 14:23:14 +00:00
transform_int_nc.f90 set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files 2016-01-22 03:00:30 +00:00
transform_int_so.f90 set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files 2016-01-22 03:00:30 +00:00
trntnsc.f90 Misc spelling errors 2017-10-25 20:08:57 +00:00
write_eigenvectors.f90 Misleading printouts "omega(N)=" replaced by "freq (N)=": what is (or should 2013-02-15 12:22:55 +00:00
write_epsilon_and_zeu.f90 Small cleanup. 2013-01-07 14:01:51 +00:00
write_hub.f90 1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross, 2018-10-30 16:20:32 +01:00
write_matrix.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
write_modes.f90 Several print format extended to allow more than 999 phonon modes (!) 2020-03-26 09:23:34 +01:00
write_qplot_data.f90 Missing copyright. 2014-01-28 15:25:35 +00:00
write_ramtns.f90 PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
write_rec.f90 define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib 2018-01-08 23:02:08 +01:00
yambo.f90 solve make.depend conflict 2020-07-13 16:33:51 +00:00
zstar_eu.f90 More zdotc replacement with dot_product 2020-07-17 09:30:41 +02:00
zstar_eu_us.f90 Updates on the electric field linear response routines: generalization to the noncollinear-magnetic case 2020-07-15 18:00:49 +02:00