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degironc cfe2536ac0 bug fixed in phonon calculation with nosym=.true. 
minus_q and related variables where not set properly: minus_q was always
set .false. while instead it may be .true. for some value of q (gamma
for instance).


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@503 c92efa57-630b-4861-b058-cf58834340f0
 		2004-01-22 12:34:43 +00:00
..
Makefile - FPMD prepared for NEB 2004-01-07 22:54:02 +00:00
add_dkmds.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
add_for_charges.f90 speed-up of z* calculation 2003-10-24 15:57:43 +00:00
add_zstar_ue.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
add_zstar_ue_us.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
addcore.f90 Some cleanup 2004-01-15 15:50:19 +00:00
adddvepsi_us.f90 Bug fix in the dielectric constant with US-PP. A factor i was not needed. 2003-09-02 12:16:45 +00:00
adddvscf.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
addnlcc.f90 16 Oct 2003 US effective charges now available in the phonon code. 2003-10-16 14:39:25 +00:00
addnlcc_zstar_eu_us.f90 speed-up of z* calculation 2003-10-24 15:57:43 +00:00
addusdbec.f90 phonon: added comments to remind why dbecsum is summed 2003-10-15 11:40:07 +00:00
addusddens.f90 Phonon did not work on 4-dim irreps 2004-01-09 15:56:24 +00:00
addusddense.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
addusdynmat.f90 22 apr 2003 All setv statements in PW repalaced by f90 constructs. 2003-04-22 16:03:45 +00:00
addusldos.f90 some pointers converted to allocatable (Michele) 2003-11-12 14:18:00 +00:00
allocate_part.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
allocate_phq.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
bcast_ph_input.f90 Documentation updated to reflect merge of Gamma and k-point versions 2003-12-11 11:10:03 +00:00
bcast_ph_input1.f90 calls to mpi_bcast replaced by calls to interface mp_bicast 2003-03-24 15:25:17 +00:00
cg_psi.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
cgsolve_all.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
ch_psi_all.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
compute_alphasum.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
compute_becalp.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
compute_becsum.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
compute_drhous.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
compute_dvloc.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
compute_nldyn.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
compute_qdipol.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
compute_weight.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
d2ionq.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
davcio_drho.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
dgcxc.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
dgcxc_spin.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
dgradcorr.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
dielec.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
dmxc.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
dmxc_spin.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
drho.f90 Phonon did not work on 4-dim irreps 2004-01-09 15:56:24 +00:00
drhodv.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
drhodvloc.f90 solo piccole riformattazioni per aumentare la leggibilita` 2003-04-07 14:13:17 +00:00
drhodvnl.f90 22 apr 2003 All setv statements in PW repalaced by f90 constructs. 2003-04-22 16:03:45 +00:00
drhodvus.f90 some pointers converted to allocatable (Michele) 2003-11-12 14:18:00 +00:00
dv_of_drho.f90 more cleanup, mainly in PH dir 2003-04-29 11:20:28 +00:00
dvanqq.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
dvkb3.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
dvpsi_e.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
dvqpsi_us.f90 some pointers converted to allocatable (Michele) 2003-11-12 14:18:00 +00:00
dvqpsi_us_only.f90 some pointers converted to allocatable (Michele) 2003-11-12 14:18:00 +00:00
dyndia.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
dynmat0.f90 22 apr 2003 All setv statements in PW repalaced by f90 constructs. 2003-04-22 16:03:45 +00:00
dynmat_us.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
dynmatcc.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
dynmatrix.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
ef_shift.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
elph.f90 Added SAVE to all modules 2003-10-17 12:03:47 +00:00
elphon.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
h_psiq.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
incdrhoscf.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
incdrhous.f90 22 apr 2003 All setv statements in PW repalaced by f90 constructs. 2003-04-22 16:03:45 +00:00
io_pattern.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
localdos.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
newdq.f90 more cleanup, mainly in PH dir 2003-04-29 11:20:28 +00:00
openfilq.f90 Documentation updated to reflect merge of Gamma and k-point versions 2003-12-11 11:10:03 +00:00
phcom.f90 speed-up of z* calculation 2003-10-24 15:57:43 +00:00
phonon.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
phq_init.f90 Some cleanup 2004-01-15 15:50:19 +00:00
phq_readin.f90 16 Oct 2003 US effective charges now available in the phonon code. 2003-10-16 14:39:25 +00:00
phq_recover.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
phq_setup.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
phq_summary.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
phqscf.f90 Phonon did not work on 4-dim irreps 2004-01-09 15:56:24 +00:00
print_clock_ph.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
psidspsi.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
psymdvscf.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
psyme.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
punch_plot_e.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
punch_plot_ph.f90 fixed typo (0d.0 -> 0.d0) [Gerardo] 2004-01-13 08:47:50 +00:00
q2qstar_ph.f90 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 2003-02-21 14:57:00 +00:00
random_matrix.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
rotate_and_add_dyn.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
set_drhoc.f90 speed-up of z* calculation 2003-10-24 15:57:43 +00:00
set_irr.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
set_irr_mode.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
set_irr_nosym.f90 bug fixed in phonon calculation with nosym=.true. 2004-01-22 12:34:43 +00:00
setlocq.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
setqmod.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
setup_dgc.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
setv.f90 many calls to "setv" replaced by f90 assignements 2003-09-17 21:50:03 +00:00
smallgq.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
solve_e.f90 some pointers converted to allocatable (Michele) 2003-11-12 14:18:00 +00:00
solve_linter.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
star_q.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
stop_ph.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
sym_and_write_zue.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
sym_def.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
symdvscf.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
symdyn_munu.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
symdynph_gq.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
syme.f90 bug fixed in phonon calculation with nosym=.true. 2004-01-22 12:34:43 +00:00
symz.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
tra_write_matrix.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
trntnsc.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
write_dyn_on_file.f90 module allocate, calls to mallocate, mfree removed 2003-02-07 16:04:36 +00:00
write_epsilon_and_zeu.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
write_matrix.f90 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 2003-11-05 19:01:20 +00:00
zstar_eu.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
zstar_eu_us.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00