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degironc 3deee25b0d 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 
The +U part of the functional can be built using
              for the projection on localized orbitals some simple
              Wannier functions generated by the post-processing
              code poormanwannier.f90 (pmw.x) from the LDA band
              structure. (SdG)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@764 c92efa57-630b-4861-b058-cf58834340f0
 		2004-04-02 16:05:17 +00:00
..
Makefile Cleanup: dsum removed 2004-04-02 13:22:33 +00:00
aainit.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
add_efield.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
add_vuspsi.f90 wfc-extrapolation extended to all "relax" algorithms. 2004-02-26 11:50:36 +00:00
addusdens.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
addusforce.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
addusstress.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
allocate_fft.f90 cleanup 2004-01-17 13:44:31 +00:00
allocate_locpot.f90 cleanup 2004-01-19 21:05:26 +00:00
allocate_nlpot.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
allocate_wfc.f90 PW, Gamma and NEB are now unified. 2003-12-10 14:57:07 +00:00
atomic_rho.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
atomic_wfc.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
bachel.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
becmod.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
bfgs.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
bp_bess.f *** empty log message *** 2003-06-11 20:07:53 +00:00
bp_c_phase.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
bp_calc_btq.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
bp_dbess.f *** empty log message *** 2003-06-11 20:07:53 +00:00
bp_qvan3.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
bp_radin.f *** empty log message *** 2003-06-11 20:07:53 +00:00
bp_strings.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
bp_ylm_q.f out-of-bound error in Berry Phase calculation 2004-01-14 20:14:07 +00:00
bp_zgedi.f Check on undefined variables, out-of-bound arrays 2004-01-06 10:53:30 +00:00
bp_zgefa.f Check on undefined variables, out-of-bound arrays 2004-01-06 10:53:30 +00:00
c_bands.f90 Cleanup: dsum removed 2004-04-02 13:22:33 +00:00
c_gemm.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 10:53:05 +00:00
ccalbec.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
ccgdiagg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cdiagh.f90 The array of communicators was non necessary (thanks to SdG): removed everywhere. 2004-03-24 16:30:44 +00:00
cdiaghg.f90 - General cleanup. 2004-03-29 08:42:37 +00:00
cdiisg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cegterg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft3.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft3s.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft_3.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft_fftw.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft_sgi.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft_sp.f90 - AIX changed in __AIX 2003-02-23 11:34:24 +00:00
cft_sun.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cft_t3e.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 10:53:05 +00:00
cfts_3.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cgramg1.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
checkallsym.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
checksym.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cinitcgg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
clean_pw.f90 - neb basic routines moved to Modules, to be shared among codes 2004-03-08 08:43:25 +00:00
close_files.f90 openfil.f90: fixed a bug related to __NEW_PUNCH 2004-03-31 17:06:39 +00:00
compute_dip.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
compute_scf.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
constraints_module.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
conv_to_num.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
coset.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cryst_to_car.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cubicsym.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
d_matrix.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
data_structure.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
davcio.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
delta_e.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
deriv_drhoc.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
diropn.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
divide.f90 22 apr 2003 All setv statements in PW repalaced by f90 constructs. 2003-04-22 16:03:45 +00:00
divide_et_impera.f90 1) An experimental parallelization of NEB images has been implemented. 2004-03-24 09:36:50 +00:00
dndepsilon.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dndtau.f90 LDA+U forces and stress are now much faster (yet not optimal) 2004-01-24 14:44:20 +00:00
dprojdepsilon.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
dprojdtau.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
dqvan2.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
drhoc.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dvloc_of_g.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dylmr2.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
dynamics.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
efermig.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
efermit.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
electrons.f90 Cleanup: all references to varie replaced by references to control_flags 2004-04-02 13:01:15 +00:00
eqvect.f90 *** empty log message *** 2004-03-15 07:59:07 +00:00
error_handler.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
estimate.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
ewald.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
ewald_dipole.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
fftw.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
force_cc.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
force_corr.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
force_ew.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
force_hub.f90 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 2004-04-02 16:05:17 +00:00
force_lc.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
force_us.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
forces.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
funct.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
functionals.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
g_psi.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
g_psi_mod.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
gen_at_dj.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
gen_at_dy.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
gen_us_dj.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
gen_us_dy.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
ggen.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
gk_sort.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
gradcorr.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
gweights.f90 The array of communicators was non necessary (thanks to SdG): removed everywhere. 2004-03-24 16:30:44 +00:00
h_1psi.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
h_psi.f90 Workaround in PW/h_psi.f90 for ifc v.8 (works, only pwcond doesn't) 2004-01-28 18:14:17 +00:00
hexsym.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
hinit0.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
hinit1.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
init_at_1.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
init_ns.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
init_paw_1.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
init_paw_2.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
init_pool.f90 The array of communicators was non necessary (thanks to SdG): removed everywhere. 2004-03-24 16:30:44 +00:00
init_run.f90 General cleanup of the parallelization routines of PWscf: they have all been moved in the para.f90 file. 2004-03-15 09:43:02 +00:00
init_us_1.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
init_us_2.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
init_vloc.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
input.f90 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 2004-04-02 16:05:17 +00:00
interpolate.f90 More postprocessing is working at Gamma point. 2004-03-12 18:38:54 +00:00
invmat.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
io_pot.f90 The array of communicators was non necessary (thanks to SdG): removed everywhere. 2004-03-24 16:30:44 +00:00
ions.f90 More module cleanup : pwcom no longer called in PW/ 2004-01-24 15:43:09 +00:00
irrek.f90 Cleanup: dsum removed 2004-04-02 13:22:33 +00:00
iweights.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
kpoint_grid.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
lchk_tauxk.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
linmin.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
lsda_functionals.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
memory.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
mix_pot.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
mix_rho.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
mode_group.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
move_ions.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
multable.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
n_plane_waves.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
neb_routines.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
new_ns.f90 Implementation of LDA+U gamma_only calculations. 2004-02-12 12:32:06 +00:00
newd.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
noncol.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
ns_adj.f90 14 feb 2004 LDA+U: variable starting_ns_eigenvalue has been added in 2004-02-14 08:39:34 +00:00
openfil.f90 openfil.f90: fixed a bug related to __NEW_PUNCH 2004-03-31 17:06:39 +00:00
ortho.f90 More module cleanup : pwcom no longer called in PW/ 2004-01-24 15:43:09 +00:00
orthoatwfc.f90 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 2004-04-02 16:05:17 +00:00
output_tau.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
para.f90 Yet another bug in para.f90 2004-03-24 17:46:48 +00:00
paw.f90 start adding a paw module outside pwcom 2004-02-26 15:33:58 +00:00
potinit.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
print_clock_pw.f90 1) An experimental parallelization of NEB images has been implemented. 2004-03-24 09:36:50 +00:00
psymrho.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
punch.f90 More module cleanup : pwcom no longer called in PW/ 2004-01-24 15:43:09 +00:00
pw_gemm.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
pwcom.f90 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 2004-04-02 16:05:17 +00:00
pwscf.f90 1) An experimental parallelization of NEB images has been implemented. 2004-03-24 09:36:50 +00:00
qvan2.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
random.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
rbecmod.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
rdiaghg.f90 The array of communicators was non necessary (thanks to SdG): removed everywhere. 2004-03-24 16:30:44 +00:00
read_conf_from_file.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
read_file.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
read_ncpp.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
read_pseudo.f90 cleanup 2004-01-16 09:18:28 +00:00
readin.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
readnewvan.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
readvan.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
regterg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
remove_atomic_rho.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
reset_k_points.f90 PW, Gamma and NEB are now unified. 2003-12-10 14:57:07 +00:00
restart.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
restart_from_file.f90 1) An experimental parallelization of NEB images has been implemented. 2004-03-24 09:36:50 +00:00
restart_in_electrons.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
restart_in_ions.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
rgen.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
rho2zeta.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
rotate_wfc.f90 Cleanup. Only one auxiliary vector is used (instead of both hpsi and spsi). 2004-02-10 08:43:32 +00:00
rotate_wfc_gamma.f90 Cleanup. Only one auxiliary vector is used (instead of both hpsi and spsi). 2004-02-10 08:43:32 +00:00
ruotaijk.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
s_1psi.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
s_axis_to_ca.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
s_gemm.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 10:53:05 +00:00
s_psi.f90 Workaround in PW/h_psi.f90 for ifc v.8 (works, only pwcond doesn't) 2004-01-28 18:14:17 +00:00
save_in_cbands.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
save_in_electrons.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
save_in_ions.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
saveall.f90 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 2004-04-02 16:05:17 +00:00
scala_cdiag.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
scala_cdiaghg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
scala_utils.f90 22 apr 2003 All setv statements in PW repalaced by f90 constructs. 2003-04-22 16:03:45 +00:00
scale_h.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
scopy_t3e.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
seqopn.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
set_fft_dim.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
set_hubbard_l.f90 minor changes in LDA+U and formatting 2003-02-25 13:43:33 +00:00
set_kplusq.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
set_kup_and_kdw.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
set_rhoc.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
set_vrs.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
setlocal.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
setqf.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
setup.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
setupkpt.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
sgam_at.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
sgam_ph.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
sgama.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
show_memory.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-04 10:53:05 +00:00
smallg_q.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
startup.f90 1) An experimental parallelization of NEB images has been implemented. 2004-03-24 09:36:50 +00:00
stop_pw.f90 - date_and_tim moved to flib and used by all code, 2004-03-28 21:36:28 +00:00
stres_cc.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
stres_ewa.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
stres_gradcorr.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
stres_har.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
stres_hub.f90 2 Apr 2004 A new (experimental) feature is added to LDA+U method. 2004-04-02 16:05:17 +00:00
stres_knl.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
stres_loc.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
stres_us.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
stress.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
struct_fact.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
sum_band.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
sumkg.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
sumkt.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
summary.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
swap.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
symrho.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
symtns.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
symvect.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
symz.f90 Cleanup in CPV: no more SSUM and CSUM 2004-03-07 16:37:10 +00:00
tabd.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
trntns.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
trnvecc.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
trnvect.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
tweights.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
update_pot.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
updathes.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
upf_to_internal.f90 Some cleanup 2004-01-15 15:50:19 +00:00
usnldiag.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
v_of_rho.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
vcsmd.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
vcsubs.f90 Changes in "memory" and in "vcsubs" to prevent overflow 2004-01-29 17:10:12 +00:00
vhpsi.f90 Implementation of LDA+U gamma_only calculations. 2004-02-12 12:32:06 +00:00
vloc_of_g.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
vloc_psi.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
vpack.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
w0gauss.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
w1gauss.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
wfcinit.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
wgauss.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
which_dft.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
write_config_to_file.f90 References to brilz replaced everywhere by cell_base. 2004-04-02 10:30:15 +00:00
write_ns.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
wsweight.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
ylmr2.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00