..
Makefile
Added optimized support for ALTIX machines - contributed by Martin Hilgeman
2005-01-07 12:57:41 +00:00
add_dkmds.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
add_for_charges.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
add_zstar_ue.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
add_zstar_ue_us.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addcore.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
adddvepsi_us.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
adddvscf.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addnlcc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addnlcc_zstar_eu_us.f90
Old parallel variables (such as me mypool) removed from PH.
2004-11-03 10:58:17 +00:00
addusdbec.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusddens.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusddense.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusdynmat.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusldos.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
bug fix in phonon code.
2005-01-11 09:15:56 +00:00
bcast_ph_input.f90
Minor things
2004-07-01 15:51:11 +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
cg_psi.f90
PH: cleanup of cgsolve_all in order to reduce memory use.
2004-05-31 16:19:23 +00:00
cgsolve_all.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
ch_psi_all.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
close_phq.f90
compilation problem
2004-09-28 10:49:51 +00:00
compute_alphasum.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
compute_becalp.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
compute_becsum.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
compute_drhous.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
compute_dvloc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
compute_nldyn.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
compute_qdipol.f90
More USPP_related variables moved to Modules/uspp.f90
2004-05-31 17:55:33 +00:00
compute_weight.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
d2ionq.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
davcio_drho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
deallocate_part.f90
Calculation of the dynamical matrices for the dispersion
2004-06-28 10:08:53 +00:00
deallocate_phq.f90
Calculation of the dynamical matrices for the dispersion
2004-06-28 10:08:53 +00:00
dgcxc.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
dgcxc_spin.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
dgradcorr.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dielec.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dmxc.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
dmxc_spin.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
drho.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
drhodv.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
drhodvloc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
drhodvnl.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
drhodvus.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dv_of_drho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dvanqq.f90
Memory leak in Raman code fixed
2004-11-18 14:47:19 +00:00
dvkb3.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dvpsi_e.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dvqpsi_us.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dvqpsi_us_only.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dyndia.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dynmat0.f90
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
2004-12-10 15:20:46 +00:00
dynmat_us.f90
Old parallel variables (such as me mypool) removed from PH.
2004-11-03 10:58:17 +00:00
dynmatcc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dynmatrix.f90
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
2004-12-10 15:20:46 +00:00
ef_shift.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
elph.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
elphon.f90
Old parallel variables (such as me mypool) removed from PH.
2004-11-03 10:58:17 +00:00
h_psiq.f90
becp = <beta|psi> allocated only when needed (except in phonon where it is
2004-05-11 21:08:21 +00:00
incdrhoscf.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
incdrhous.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
io_pattern.f90
Old parallel variables (such as me mypool) removed from PH.
2004-11-03 10:58:17 +00:00
localdos.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
newdq.f90
bug fix in phonon code.
2005-01-11 09:15:56 +00:00
openfilq.f90
Electron-phonon coefficient calculation should work also after a restart
2004-11-01 17:48:04 +00:00
phcom.f90
bug fix in phonon code.
2005-01-11 09:15:56 +00:00
phonon.f90
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
2004-12-10 15:20:46 +00:00
phq_init.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
phq_readin.f90
The noncolinear version is not working in these programs. Added a call errore
2005-01-05 15:22:56 +00:00
phq_recover.f90
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
2004-12-10 15:20:46 +00:00
phq_setup.f90
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
2004-12-10 15:20:46 +00:00
phq_summary.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
phqscf.f90
oops ...
2004-11-04 13:43:56 +00:00
print_clock_ph.f90
Print correct CPU time for runs of more than 100h (PG)
2004-10-25 16:40:56 +00:00
psidspsi.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
psymdvscf.f90
Some undeclared variables explicitly declared.
2004-11-16 13:27:56 +00:00
psyme.f90
Some undeclared variables explicitly declared.
2004-11-16 13:27:56 +00:00
punch_plot_e.f90
Old parallel variables (such as me mypool) removed from PH.
2004-11-03 10:58:17 +00:00
punch_plot_ph.f90
Old parallel variables (such as me mypool) removed from PH.
2004-11-03 10:58:17 +00:00
q2qstar_ph.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
q_points.f90
Minor things
2004-07-01 15:51:11 +00:00
random_matrix.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
rotate_and_add_dyn.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
set_drhoc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
set_irr.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
set_irr_mode.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
set_irr_nosym.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
setlocq.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
setqmod.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
setup_dgc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
smallgq.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
solve_e.f90
Other small changes in the output [Gerardo]
2004-07-14 14:58:51 +00:00
solve_linter.f90
Electron-phonon coefficient calculation should work also after a restart
2004-11-01 17:48:04 +00:00
star_q.f90
iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
2004-12-10 15:20:46 +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
small change in output format [Gerardo]
2004-07-14 14:23:51 +00:00
sym_def.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
symdvscf.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
symdyn_munu.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
symdynph_gq.f90
Added optimized support for ALTIX machines - contributed by Martin Hilgeman
2005-01-07 12:57:41 +00:00
syme.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
tra_write_matrix.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
trntnsc.f90
Patches from Axel Kohlmayer:
2004-10-26 09:32:48 +00:00
write_dyn_on_file.f90
PH: cleanup of cgsolve_all in order to reduce memory use.
2004-05-31 16:19:23 +00:00
write_epsilon_and_zeu.f90
small change in output format [Gerardo]
2004-07-14 14:23:51 +00:00
write_matrix.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
zstar_eu.f90
writting Z* in proper way
2004-08-27 09:00:02 +00:00
zstar_eu_us.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
0c3bb340b0