| .. |
|
Makefile
|
- Miscellaneous fixes of compilation errors left after last changes
|
2006-01-15 20:18:53 +00:00 |
|
add_dkmds.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
add_for_charges.f90
|
error (..., -1) => infomsg
|
2005-08-30 16:27:58 +00:00 |
|
add_zstar_ue.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
add_zstar_ue_us.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
addcore.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
adddvepsi_us.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
adddvscf.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
addnlcc.f90
|
More small changes to funct module, some clean up of the EXX part.
|
2005-11-04 11:47:42 +00:00 |
|
addnlcc_zstar_eu_us.f90
|
More small changes to funct module, some clean up of the EXX part.
|
2005-11-04 11:47:42 +00:00 |
|
addusdbec.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
addusddens.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
addusddense.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
addusdynmat.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
addusldos.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
allocate_part.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
|
allocate_phq.f90
|
Raman calculation with 2nd-order response by Michele Lazzeri added
|
2005-03-04 17:46:02 +00:00 |
|
bcast_ph_input.f90
|
- Miscellaneous fixes of compilation errors left after last changes
|
2006-01-15 20:18:53 +00:00 |
|
bcast_ph_input1.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
|
cft_wave.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
cg_psi.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
cgsolve_all.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
ch_psi_all.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
chi_test.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
clinear.f90
|
Electron-phonon calculation using Malgorzata's technique
|
2005-12-28 10:55:17 +00:00 |
|
close_phq.f90
|
variable "okvan" moved to module "uspp" + minor cleanup
|
2005-03-28 13:55:19 +00:00 |
|
compute_alphasum.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_becalp.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_becsum.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_drhous.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_dvloc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_nldyn.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_qdipol.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
compute_weight.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
d2ionq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
d2mxc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
davcio_drho.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
deallocate_part.f90
|
Added copyright notice where missing (please check)
|
2005-03-21 14:01:19 +00:00 |
|
deallocate_phq.f90
|
Added copyright notice where missing (please check)
|
2005-03-21 14:01:19 +00:00 |
|
dgcxc.f90
|
Modules/functionals.f90 modified.
|
2005-11-02 15:42:06 +00:00 |
|
dgcxc_spin.f90
|
Modules/functionals.f90 modified.
|
2005-11-02 15:42:06 +00:00 |
|
dgradcorr.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dhdrhopsi.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dielec.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dielec_test.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
drho.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
drhodv.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
drhodvloc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
drhodvnl.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
drhodvus.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dv_of_drho.f90
|
More small changes to funct module, some clean up of the EXX part.
|
2005-11-04 11:47:42 +00:00 |
|
dvanqq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dvkb3.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dvpsi_e.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dvpsi_e2.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dvqpsi_us.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dvqpsi_us_only.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dyndia.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dynmat0.f90
|
Cleanup
|
2005-12-21 11:20:28 +00:00 |
|
dynmat_us.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dynmatcc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
dynmatrix.f90
|
Cleanup
|
2005-12-21 11:20:28 +00:00 |
|
ef_shift.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
el_opt.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
elph.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
elphon.f90
|
Electron-phonon calculation with new algorithm works in parallel
|
2006-01-05 19:02:22 +00:00 |
|
h_psiq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
hdiag.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
incdrhoscf.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
incdrhous.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
io_pattern.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
localdos.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
newdq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
openfilq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
pcgreen.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
phcom.f90
|
Electron-phonon calculation using Malgorzata's technique
|
2005-12-28 10:55:17 +00:00 |
|
phonon.f90
|
1) phonon: workaround for serious bug in parallel execution
|
2006-01-13 15:38:56 +00:00 |
|
phq_init.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
phq_readin.f90
|
Electron-phonon calculation using Malgorzata's technique
|
2005-12-28 10:55:17 +00:00 |
|
phq_recover.f90
|
Updated documentation for simplified interatomic force constants calculation
|
2005-07-20 14:57:21 +00:00 |
|
phq_setup.f90
|
Cleanup
|
2005-12-21 11:20:28 +00:00 |
|
phq_summary.f90
|
Cleanup
|
2005-12-21 11:20:28 +00:00 |
|
phqscf.f90
|
1) phonon: workaround for serious bug in parallel execution
|
2006-01-13 15:38:56 +00:00 |
|
print_clock_ph.f90
|
More minor changes to restart, cpu time printout
|
2005-04-21 14:37:21 +00:00 |
|
psidspsi.f90
|
error (..., -1) => infomsg
|
2005-08-30 16:27:58 +00:00 |
|
psymdvscf.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
psyme.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
psyme2.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
punch_plot_e.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
punch_plot_ph.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
q2qstar_ph.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
q_points.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
raman.f90
|
Updated documentation for simplified interatomic force constants calculation
|
2005-07-20 14:57:21 +00:00 |
|
raman_mat.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
ramanm.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
random_matrix.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
rotate_and_add_dyn.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
set_drhoc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
set_dvscf.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
set_irr.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
set_irr_mode.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
set_irr_nosym.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
setlocq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
setqmod.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
setup_dgc.f90
|
More small changes to funct module, some clean up of the EXX part.
|
2005-11-04 11:47:42 +00:00 |
|
smallgq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
solve_e.f90
|
- Miscellaneous fixes of compilation errors left after last changes
|
2006-01-15 20:18:53 +00:00 |
|
solve_e2.f90
|
- Miscellaneous fixes of compilation errors left after last changes
|
2006-01-15 20:18:53 +00:00 |
|
solve_e_nscf.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
solve_linter.f90
|
- Miscellaneous fixes of compilation errors left after last changes
|
2006-01-15 20:18:53 +00:00 |
|
star_q.f90
|
Initialize t_rev to zero, just in case
|
2005-11-14 08:48:45 +00:00 |
|
stop_ph.f90
|
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
|
2004-12-10 15:20:46 +00:00 |
|
sym_and_write_zue.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
sym_def.f90
|
Cleanup
|
2005-12-21 11:20:28 +00:00 |
|
sym_elop.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
symdvscf.f90
|
Cleanup
|
2005-12-21 11:20:28 +00:00 |
|
symdyn_munu.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
symdynph_gq.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
syme.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
syme2.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
symm.f90
|
Electron-phonon calculation using Malgorzata's technique
|
2005-12-28 10:55:17 +00:00 |
|
symram.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
tra_write_matrix.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
trntnsc.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
trntnsr_3.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +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
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
write_matrix.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
write_ramtns.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
zstar_eu.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
|
zstar_eu_us.f90
|
dbl => DP (defined as previously dbl was)
|
2005-08-28 14:09:42 +00:00 |
98c63ca797