| .. |
|
Makefile
|
This option (dvscf_star=.true. ) allows the phonon code to
|
2011-05-13 15:36:08 +00:00 |
|
acfdtest.f90
|
modifications to the phonon code that are activated only when
|
2011-03-09 21:39:09 +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 variable harmonization: ig1,ig2,ig3 => mill
|
2010-12-05 13:07:09 +00:00 |
|
adddvepsi_us.f90
|
Merge lr_adddvepsi_us_[gamma,k] with adddvepsi_us. Required some minor interface changes to the latter so calls in VdW and PHONON updated.
|
2011-06-25 23:39:36 +00:00 |
|
adddvscf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
addnlcc.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
addnlcc_zstar_eu_us.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +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 variable harmonization: ig1,ig2,ig3 => mill
|
2010-12-05 13:07:09 +00:00 |
|
addusddense.f90
|
More variable harmonization: ig1,ig2,ig3 => mill
|
2010-12-05 13:07:09 +00:00 |
|
addusdynmat.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
addusldos.f90
|
More variable harmonization: ig1,ig2,ig3 => mill
|
2010-12-05 13:07:09 +00:00 |
|
allocate_part.f90
|
Cleanup. The nrapp option removed. It is substituted by start_irr and last_irr.
|
2011-02-28 13:49:22 +00:00 |
|
allocate_pert.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
allocate_phq.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
apply_dpot.f90
|
Variable nrxxs removed from module gvect. Either the value in module
|
2010-10-24 08:05:12 +00:00 |
|
bcast_ph_input.f90
|
Added input variable
|
2011-05-17 09:47:47 +00:00 |
|
ccg_psi.f90
|
Routines generalized to the noncollinear case.
|
2011-05-07 10:03:20 +00:00 |
|
cch_psi_all.f90
|
Routines generalized to the noncollinear case.
|
2011-05-07 10:03:20 +00:00 |
|
cft_wave.f90
|
More variable unification: module gvecs and gsmooth merged (new name: gvecs),
|
2010-12-24 10:19:22 +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
|
Merged lr_cgsolve_all and cgsolve_all. Also updated TDDFPT Makefile and make.depend to reflect this and the last two commits.
|
2011-06-15 17:37:31 +00:00 |
|
cgsolve_all_imfreq.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
ch_psi_all.f90
|
Merging lr_ch_psi_all and ch_psi_all.
|
2011-06-15 15:53:33 +00:00 |
|
check_initial_status.f90
|
Yet another problem with nk1 nk2 nk3 etc: example07 wasn't working any
|
2011-05-17 15:04:29 +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
|
Small cleanup.
|
2011-02-27 17:07:31 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
compute_drhous_nc.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
compute_dvloc.f90
|
More variable unification: module gvecs and gsmooth merged (new name: gvecs),
|
2010-12-24 10:19:22 +00:00 |
|
compute_nldyn.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
compute_vsgga.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +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
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
deallocate_part.f90
|
Cleanup. The nrapp option removed. It is substituted by start_irr and last_irr.
|
2011-02-28 13:49:22 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
drhodv.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
drhodvloc.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
drhodvnl.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
drhodvus.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
dv_of_drho.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
dvanqq.f90
|
More variable harmonization: ig1,ig2,ig3 => mill
|
2010-12-05 13:07:09 +00:00 |
|
dvkb3.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
dvpsi_e.f90
|
Merge lr_adddvepsi_us_[gamma,k] with adddvepsi_us. Required some minor interface changes to the latter so calls in VdW and PHONON updated.
|
2011-06-25 23:39:36 +00:00 |
|
dvpsi_e2.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
dvqpsi_us.f90
|
More variable unification: module gvecs and gsmooth merged (new name: gvecs),
|
2010-12-24 10:19:22 +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
|
make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90
|
2011-01-23 16:14:41 +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 merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
dynmatcc.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
dynmatrix.f90
|
The special case start_irr=0, last_irr=0 is dealt with in check_initial_status,
|
2011-02-21 10:18:59 +00:00 |
|
ef_shift.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
el_opt.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
el_ph_collect.f90
|
Small cleanup.
|
2010-11-27 09:37:57 +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
|
Yet another problem with nk1 nk2 nk3 etc: example07 wasn't working any
|
2011-05-17 15:04:29 +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
|
Standard for empty character variable is ' ', not ''
|
2011-05-11 08:03:44 +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
|
There is lots of code duplication between ph.x and turbo_lanczos.x . Merging h_psiq and lr_h_psiq.
|
2011-06-15 15:04:11 +00:00 |
|
hdiag.f90
|
More minor variable name harmonization
|
2010-12-23 11:27:11 +00:00 |
|
incdrhoscf.f90
|
More variable unification: module gvecs and gsmooth merged (new name: gvecs),
|
2010-12-24 10:19:22 +00:00 |
|
incdrhoscf_nc.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
incdrhous.f90
|
More variable unification: module gvecs and gsmooth merged (new name: gvecs),
|
2010-12-24 10:19:22 +00:00 |
|
incdrhous_nc.f90
|
Bug fix: imprecise frequencies in the US noncollinear case when the
|
2011-01-09 18:33:52 +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
|
Inconsistent calls to io_pattern was causing both PH and D3 to crash
|
2011-05-17 20:18:49 +00:00 |
|
lambda.f90
|
Electron-phonon problems: 1) if -q is not in the star of q, the number of
|
2010-12-11 14:04:08 +00:00 |
|
localdos.f90
|
Problem fix: Fermi energy shift was not implemented in the noncollinear
|
2011-01-09 18:35:44 +00:00 |
|
make.depend
|
make.depend updated
|
2011-06-16 19:59:38 +00:00 |
|
matdyn.f90
|
Lines of zero length are allowed when giving the input of k or q points
|
2011-04-29 08:08:07 +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 variable harmonization: ig1,ig2,ig3 => mill
|
2010-12-05 13:07:09 +00:00 |
|
open_dvscf_star_q.f90
|
open_input_file modified to automatically detect xml. There is no nedd
|
2011-07-04 15:27:16 +00:00 |
|
openfilq.f90
|
Added input variable
|
2011-05-17 09:47:47 +00:00 |
|
orthogonalize.f90
|
Rebase of lr_dvpsi_e with respect to dvpsi_e in PHONON. Lots of duplicate/obselete code that is
|
2011-06-25 17:56:27 +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
|
Variables nk1,nk2,nk3,k1,k2,k3, moved from tetrahedron module into module
|
2011-05-05 14:25:03 +00:00 |
|
phcom.f90
|
Yet another problem with nk1 nk2 nk3 etc: example07 wasn't working any
|
2011-05-17 15:04:29 +00:00 |
|
phescf.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
phonon.f90
|
Another small change.
|
2011-06-14 08:04:38 +00:00 |
|
phq_init.f90
|
modifications to the phonon code that are activated only when
|
2011-03-09 21:39:09 +00:00 |
|
phq_readin.f90
|
open_input_file modified to automatically detect xml. There is no nedd
|
2011-07-04 15:27:16 +00:00 |
|
phq_recover.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
phq_setup.f90
|
Bug fix: LSDA + constrained magnetization was not working with pools.
|
2011-03-29 14:29:19 +00:00 |
|
phq_summary.f90
|
"a_0" renamed "alat" in printout to prevent confusion with Bohr radius
|
2011-05-17 11:18:28 +00:00 |
|
phqscf.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
polariz.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
prepare_q.f90
|
Yet another problem with nk1 nk2 nk3 etc: example07 wasn't working any
|
2011-05-17 15:04:29 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
psym_dmage.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
psymdvscf.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
psyme.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
psyme2.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
punch_plot_e.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
punch_plot_ph.f90
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
q2qstar_ph.f90
|
Dynamical matrix in xml format. Part 1: ph writes.
|
2010-08-03 09:26:47 +00:00 |
|
q2r.f90
|
make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90
|
2011-01-23 16:14:41 +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
|
Yet another problem with nk1 nk2 nk3 etc: example07 wasn't working any
|
2011-05-17 15:04:29 +00:00 |
|
save_ph_input.f90
|
Cleanup. The nrapp option removed. It is substituted by start_irr and last_irr.
|
2011-02-28 13:49:22 +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
|
Yet another problem with nk1 nk2 nk3 etc: example07 wasn't working any
|
2011-05-17 15:04:29 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +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
|
Bug fix: a problem with the new ordering of the modes in presence of accidental
|
2011-03-03 17:10:02 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
sgam_ph.f90
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More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
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smallgq.f90
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More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
solve_e.f90
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Added npwq as an argument to orthogonalize to make the routine more general. This allows it to be used in turbo_lanczos.x (future commit). Relevant calls in ph.x also modified, should present no material difference to ph.x.
|
2011-06-24 20:37:38 +00:00 |
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solve_e2.f90
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Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
solve_e_fpol.f90
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Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
|
solve_e_nscf.f90
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More variable unification: module gvecs and gsmooth merged (new name: gvecs),
|
2010-12-24 10:19:22 +00:00 |
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solve_linter.f90
|
Added npwq as an argument to orthogonalize to make the routine more general. This allows it to be used in turbo_lanczos.x (future commit). Relevant calls in ph.x also modified, should present no material difference to ph.x.
|
2011-06-24 20:37:38 +00:00 |
|
star_q.f90
|
More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
stop_ph.f90
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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 |
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sym_and_write_zue.f90
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More cft3/cft3s => fwfft/invfft conversion
|
2010-08-28 13:48:36 +00:00 |
|
sym_def.f90
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End of this set of not-so-fundamental changes. Summary:
|
2009-08-03 09:19:02 +00:00 |
|
sym_dmag.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
sym_dmage.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
symdvscf.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +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
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +00:00 |
|
syme2.f90
|
More merge of grid dimensions:
|
2010-10-26 08:28:22 +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
|
Format not appropriate for > 100 atoms, extended (courtesy o Roman
|
2010-12-21 15:19:08 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +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
|
Completed the substitution nrxx -> dfftp%nnr , nrxxs -> dffts%nnr in the
|
2010-12-31 13:18:20 +00:00 |
f83cfca2a0