.. |
Makefile
|
Added the possibility to calculate the electron-phonon interaction with pools.
|
2010-10-06 15:54:13 +00:00 |
add_dkmds.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
add_for_charges.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
add_zstar_ue.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
add_zstar_ue_us.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addcore.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
adddvepsi_us.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
adddvscf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addnlcc.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
addnlcc_zstar_eu_us.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
addusdbec.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addusdbec_nc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addusddens.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addusddense.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addusdynmat.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
addusldos.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
allocate_part.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
allocate_pert.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
allocate_phq.f90
|
Added the possibility to calculate the electron-phonon interaction with pools.
|
2010-10-06 15:54:13 +00:00 |
apply_dpot.f90
|
Save memory in the nonmagnetic spin-orbit case. Some variables are
|
2009-10-23 11:11:36 +00:00 |
bcast_ph_input.f90
|
Introduced a new input variable to disable the mode symmetry analysis in
|
2010-08-22 22:17:27 +00:00 |
ccg_psi.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
cch_psi_all.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
cft_wave.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
cg_psi.f90
|
Phonon in the noncollinear and spin-orbit case. Routines with small changes.
|
2007-02-08 13:07:07 +00:00 |
cgsolve_all.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
cgsolve_all_imfreq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
ch_psi_all.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
check_initial_status.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
check_q_points_sym.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
check_restart_recover.f90
|
Cleanup.
|
2009-11-13 17:14:12 +00:00 |
chi_test.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
clean_pw_ph.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
clinear.f90
|
Small cleanup.
|
2010-10-13 08:26:37 +00:00 |
close_phq.f90
|
When dvscf is saved on file and okpaw is true int3_paw is saved as well.
|
2010-10-12 14:46:04 +00:00 |
compute_alphasum.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_becalp.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_becsum_ph.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_drhous.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_drhous_nc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_dvloc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_nldyn.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
compute_vsgga.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
compute_weight.f90
|
A major reorganization of the phonon recover logic.
|
2009-11-16 17:04:25 +00:00 |
d2ionq.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
d2mxc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
davcio_drho.f90
|
When dvscf is saved on file and okpaw is true int3_paw is saved as well.
|
2010-10-12 14:46:04 +00:00 |
deallocate_part.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
deallocate_phq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dgradcorr.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dhdrhopsi.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dielec.f90
|
Cleanup of matrix crystal to cartesian transformations
|
2010-01-15 07:36:54 +00:00 |
dielec_test.f90
|
Cleanup of matrix crystal to cartesian transformations
|
2010-01-15 07:36:54 +00:00 |
drho.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
drhodv.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
drhodvloc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
drhodvnl.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
drhodvus.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dv_of_drho.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dvanqq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dvkb3.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dvpsi_e.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dvpsi_e2.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dvqpsi_us.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dvqpsi_us_only.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dyndia.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dynmat.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dynmat0.f90
|
More symmetry cleanup (sort of). Symmetry-related variables, together with
|
2010-02-12 20:57:55 +00:00 |
dynmat_us.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dynmatcc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
dynmatrix.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
ef_shift.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
el_opt.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
el_ph_collect.f90
|
Cleanup of a debug line.
|
2010-10-12 14:19:05 +00:00 |
elph.f90
|
Added the possibility to calculate the electron-phonon interaction with pools.
|
2010-10-06 15:54:13 +00:00 |
elphon.f90
|
A problem in yesterday commit.
|
2010-10-09 13:04:50 +00:00 |
find_equiv_sites.f90
|
The new variable lgamma_gamma has been introduced in ph.x.
|
2006-07-26 15:02:37 +00:00 |
find_mode_sym.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
fqha.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
generate_dynamical_matrix_c.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
generate_effective_charges_c.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
gmressolve_all.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
h_psiq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
hdiag.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
incdrhoscf.f90
|
Hidden dependency of incdrhoscf_nc.f90 on dpsi (passed through a module) is
|
2010-09-14 14:07:21 +00:00 |
incdrhoscf_nc.f90
|
Hidden dependency of incdrhoscf_nc.f90 on dpsi (passed through a module) is
|
2010-09-14 14:07:21 +00:00 |
incdrhous.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
incdrhous_nc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
init_representations.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
initialize_ph.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
io_dyn_mat.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
io_pattern.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
lambda.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
localdos.f90
|
Forgot to update GIPAW in previous commits, plus minor things (removal of
|
2010-08-31 13:13:51 +00:00 |
make.depend
|
Forgot to update GIPAW in previous commits, plus minor things (removal of
|
2010-08-31 13:13:51 +00:00 |
matdyn.f90
|
Small changes to matdyn.f90.
|
2010-10-13 16:16:27 +00:00 |
mode_group.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
newdq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
openfilq.f90
|
When dvscf is saved on file and okpaw is true int3_paw is saved as well.
|
2010-10-12 14:46:04 +00:00 |
orthogonalize.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
pcgreen.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
ph_restart.f90
|
Avoid to create an existing directory.
|
2010-10-19 13:58:25 +00:00 |
phcom.f90
|
When dvscf is saved on file and okpaw is true int3_paw is saved as well.
|
2010-10-12 14:46:04 +00:00 |
phescf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
phonon.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
phq_init.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
phq_readin.f90
|
When dvscf is saved on file and okpaw is true int3_paw is saved as well.
|
2010-10-12 14:46:04 +00:00 |
phq_recover.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
phq_setup.f90
|
Do not check symmetry when nsym=1.
|
2010-10-08 14:45:38 +00:00 |
phq_summary.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
phqscf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
polariz.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
prepare_q.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
prepare_sym_analysis.f90
|
Cleanup of mode symmetry analysis.
|
2010-08-01 05:55:14 +00:00 |
print_clock_ph.f90
|
Forgot to update GIPAW in previous commits, plus minor things (removal of
|
2010-08-31 13:13:51 +00:00 |
psidspsi.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
psym_dmag.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
psym_dmage.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
psymdvscf.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
psyme.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
psyme2.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
punch_plot_e.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
punch_plot_ph.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
q2qstar_ph.f90
|
Dynamical matrix in xml format. Part 1: ph writes.
|
2010-08-03 09:26:47 +00:00 |
q2r.f90
|
Fix to yesterday commit.
|
2010-10-13 07:15:43 +00:00 |
q_points.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
qdipol_cryst.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
raman.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
raman_mat.f90
|
More minor symmetry cleanup
|
2010-01-15 15:33:11 +00:00 |
ramanm.f90
|
Avoid repeating electric field calculations if the tensors are available
|
2009-11-12 17:17:14 +00:00 |
random_matrix.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
rigid.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
rotate_and_add_dyn.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
run_pwscf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
save_ph_input.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
set_asr_c.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
set_defaults_pw.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
set_drhoc.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
set_dvscf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
set_int12_nc.f90
|
Further use of nspin_mag in array dimensions.
|
2009-10-23 13:22:05 +00:00 |
set_irr.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
set_irr_mode.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
set_irr_nosym.f90
|
Parameter max_irr_dim removed from phonon and from d3.
|
2009-10-20 05:59:54 +00:00 |
set_irr_sym.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
setlocq.f90
|
Patch for Coulomb potential in phonon calculations
|
2009-08-21 15:44:43 +00:00 |
setqmod.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
setup_dgc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
sgam_ph.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
smallgq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
solve_e.f90
|
Hidden dependency of incdrhoscf_nc.f90 on dpsi (passed through a module) is
|
2010-09-14 14:07:21 +00:00 |
solve_e2.f90
|
Hidden dependency of incdrhoscf.f90 on dpsi (passed through a module) is
|
2010-09-14 13:42:51 +00:00 |
solve_e_fpol.f90
|
Hidden dependency of incdrhoscf.f90 on dpsi (passed through a module) is
|
2010-09-14 13:42:51 +00:00 |
solve_e_nscf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
solve_linter.f90
|
Hidden dependency of incdrhoscf_nc.f90 on dpsi (passed through a module) is
|
2010-09-14 14:07:21 +00:00 |
star_q.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
stop_ph.f90
|
programs started with mp_global_start should end with mp_global_end. Not a
|
2010-02-25 20:03:07 +00:00 |
summarize.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
sym_and_write_zue.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
sym_def.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
sym_dmag.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
sym_dmage.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
symdvscf.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
symdyn_munu.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
symdynph_gq.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
syme.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
syme2.f90
|
Harmonization of FFT grid variables with CP:
|
2010-09-18 16:48:39 +00:00 |
symm.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
tra_write_matrix.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
transform_alphasum_nc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
transform_alphasum_so.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
transform_dbecsum_nc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
transform_dbecsum_so.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
transform_int_nc.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
transform_int_so.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
trntnsc.f90
|
End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
write_dyn_on_file.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
write_epsilon_and_zeu.f90
|
Dynamical matrix in xml format. Part 1: ph writes.
|
2010-08-03 09:26:47 +00:00 |
write_matrix.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
write_ramtns.f90
|
Dynamical matrix in xml format. Part 1: ph writes.
|
2010-08-03 09:26:47 +00:00 |
write_rec.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
xk_wk_collect.f90
|
Added the possibility to calculate the electron-phonon interaction with pools.
|
2010-10-06 15:54:13 +00:00 |
zstar_eu.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
zstar_eu_us.f90
|
Hidden dependency of incdrhoscf_nc.f90 on dpsi (passed through a module) is
|
2010-09-14 14:07:21 +00:00 |