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giannozz 6c40185885 - outdir is set by default to the value of the $ESPRESSO_TMPDIR 
environment variable, or to './' (as before) if this is not set
- pseudo_dir is set by default to the value of $ESPRESSO_PSEDIR,
  to $HOME/espresso/pseudo/ otherwise
- documentation updated to reflect the new defaults
Note that the 'capture' of $HOME/pw/pseudo using a call to 'getenv'
was already present in pwscf but it was not working (pseudo_dir was
overwritten) so nothing susceptible to create new problems was added.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3309 c92efa57-630b-4861-b058-cf58834340f0
 		2006-08-08 18:05:16 +00:00
..
Makefile Makefile update. 2006-07-31 10:03:32 +00:00
add_dkmds.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
add_for_charges.f90 Excessive usage of memory fixed 2006-03-08 11:18:15 +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 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +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
ccg_psi.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
cch_psi_all.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +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 - Electron-phonon calculation with the new (Malgorzata) algorithm should 2006-04-05 13:15:37 +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 Bug fix: The recover of a phonon calculation with ldisp=.true. was 2006-07-06 14:56:53 +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 Bug fix: The recover of a phonon calculation with ldisp=.true. was 2006-07-06 14:56:53 +00:00
dvkb3.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dvpsi_e.f90 Restart with new format works (sort of: charge density and wavefunctions 2006-01-30 16:17:30 +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 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
dynmatcc.f90 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
dynmatrix.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +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 symmetrization simplified (but still a mess) 2006-06-14 14:15:24 +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
generate_dynamical_matrix_c.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
gmressolve_all.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +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 - Electron-phonon calculation with the new (Malgorzata) algorithm should 2006-04-05 13:15:37 +00:00
pcgreen.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
phcom.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
phonon.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
phq_init.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
phq_readin.f90 - outdir is set by default to the value of the $ESPRESSO_TMPDIR 2006-08-08 18:05:16 +00:00
phq_recover.f90 Bug fix: int1 and int2 are needed to recover the US phonon calculation. 2006-07-06 14:48:52 +00:00
phq_setup.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
phq_summary.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
phqscf.f90 1) phonon: workaround for serious bug in parallel execution 2006-01-13 15:38:56 +00:00
polariz.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +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 The phonon code was writing garbage on output under "Title" 2006-04-06 12:13:54 +00:00
punch_plot_ph.f90 The phonon code was writing garbage on output under "Title" 2006-04-06 12:13:54 +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 more explicit error messages 2006-06-06 15:42:55 +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 All functions used to generate random number collected in a single module. Added two routines 2006-01-25 04:24:49 +00:00
rotate_and_add_dyn.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
set_asr_c.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +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 All functions used to generate random number collected in a single module. Added two routines 2006-01-25 04:24:49 +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 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
smallgq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
solve_e.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
solve_e2.f90 - Miscellaneous fixes of compilation errors left after last changes 2006-01-15 20:18:53 +00:00
solve_e_fpol.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
solve_e_nscf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
solve_linter.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +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 symmetrization simplified (but still a mess) 2006-06-14 14:15:24 +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