2003-01-20 05:58:50 +08:00
|
|
|
# Makefile for phonon (PH)
|
2003-12-02 23:47:00 +08:00
|
|
|
|
2003-01-20 05:58:50 +08:00
|
|
|
include ../make.sys
|
2003-12-02 23:47:00 +08:00
|
|
|
|
|
|
|
PHOBJS = \
|
2003-10-16 22:39:25 +08:00
|
|
|
add_dkmds.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
add_for_charges.o \
|
|
|
|
add_zstar_ue.o \
|
|
|
|
add_zstar_ue_us.o \
|
|
|
|
addcore.o \
|
|
|
|
adddvepsi_us.o \
|
|
|
|
adddvscf.o \
|
|
|
|
addnlcc.o \
|
|
|
|
addnlcc_zstar_eu_us.o \
|
|
|
|
addusdbec.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
addusdbec_nc.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
addusddens.o \
|
|
|
|
addusddense.o \
|
|
|
|
addusdynmat.o \
|
|
|
|
addusldos.o \
|
|
|
|
allocate_part.o \
|
|
|
|
allocate_phq.o \
|
|
|
|
bcast_ph_input.o \
|
|
|
|
bcast_ph_input1.o \
|
|
|
|
cg_psi.o \
|
2006-03-30 17:43:38 +08:00
|
|
|
ccg_psi.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
cgsolve_all.o \
|
|
|
|
ch_psi_all.o \
|
2006-03-30 17:43:38 +08:00
|
|
|
cch_psi_all.o \
|
2005-12-28 18:55:17 +08:00
|
|
|
clinear.o \
|
2004-06-28 18:08:53 +08:00
|
|
|
close_phq.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
compute_alphasum.o \
|
|
|
|
compute_becalp.o \
|
2007-11-20 17:12:02 +08:00
|
|
|
compute_becsum_ph.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
compute_drhous.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
compute_drhous_nc.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
compute_dvloc.o \
|
|
|
|
compute_nldyn.o \
|
2007-09-03 15:20:09 +08:00
|
|
|
compute_vsgga.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
compute_weight.o \
|
2004-06-28 18:08:53 +08:00
|
|
|
deallocate_part.o \
|
|
|
|
deallocate_phq.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
d2ionq.o \
|
|
|
|
davcio_drho.o \
|
|
|
|
dgcxc.o \
|
|
|
|
dgcxc_spin.o \
|
|
|
|
dgradcorr.o \
|
|
|
|
dielec.o \
|
|
|
|
drho.o \
|
|
|
|
drhodv.o \
|
|
|
|
drhodvloc.o \
|
|
|
|
drhodvnl.o \
|
|
|
|
drhodvus.o \
|
|
|
|
dv_of_drho.o \
|
|
|
|
dvanqq.o \
|
2003-10-24 23:57:43 +08:00
|
|
|
dvkb3.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
dvpsi_e.o \
|
|
|
|
dvqpsi_us.o \
|
|
|
|
dvqpsi_us_only.o \
|
|
|
|
dyndia.o \
|
|
|
|
dynmat0.o \
|
|
|
|
dynmat_us.o \
|
|
|
|
dynmatcc.o \
|
|
|
|
dynmatrix.o \
|
|
|
|
ef_shift.o \
|
|
|
|
elph.o \
|
|
|
|
elphon.o \
|
2006-07-26 23:02:37 +08:00
|
|
|
find_equiv_sites.o \
|
2006-08-09 16:20:53 +08:00
|
|
|
find_mode_sym.o \
|
2006-07-26 23:02:37 +08:00
|
|
|
generate_dynamical_matrix_c.o \
|
2006-03-30 17:43:38 +08:00
|
|
|
gmressolve_all.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
h_psiq.o \
|
|
|
|
incdrhoscf.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
incdrhoscf_nc.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
incdrhous.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
incdrhous_nc.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
io_pattern.o \
|
|
|
|
localdos.o \
|
|
|
|
newdq.o \
|
|
|
|
openfilq.o \
|
|
|
|
phcom.o \
|
|
|
|
phq_init.o \
|
|
|
|
phq_readin.o \
|
|
|
|
phq_recover.o \
|
|
|
|
phq_setup.o \
|
|
|
|
phq_summary.o \
|
|
|
|
phqscf.o \
|
2006-03-30 17:43:38 +08:00
|
|
|
polariz.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
print_clock_ph.o \
|
|
|
|
psidspsi.o \
|
|
|
|
psymdvscf.o \
|
|
|
|
psyme.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
psym_dmag.o \
|
2007-10-09 00:17:11 +08:00
|
|
|
psym_dmage.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
punch_plot_e.o \
|
|
|
|
punch_plot_ph.o \
|
2004-07-01 01:56:05 +08:00
|
|
|
q_points.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
q2qstar_ph.o \
|
|
|
|
random_matrix.o \
|
|
|
|
rotate_and_add_dyn.o \
|
2006-07-26 23:02:37 +08:00
|
|
|
set_asr_c.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
set_drhoc.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
set_int12_nc.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
set_irr.o \
|
|
|
|
set_irr_mode.o \
|
|
|
|
set_irr_nosym.o \
|
|
|
|
setlocq.o \
|
|
|
|
setqmod.o \
|
|
|
|
setup_dgc.o \
|
|
|
|
smallgq.o \
|
|
|
|
solve_e.o \
|
2006-03-30 17:43:38 +08:00
|
|
|
solve_e_fpol.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
solve_linter.o \
|
|
|
|
star_q.o \
|
|
|
|
stop_ph.o \
|
|
|
|
sym_and_write_zue.o \
|
|
|
|
sym_def.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
sym_dmag.o \
|
2007-10-09 00:17:11 +08:00
|
|
|
sym_dmage.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
symdvscf.o \
|
|
|
|
symdyn_munu.o \
|
|
|
|
symdynph_gq.o \
|
|
|
|
syme.o \
|
2005-12-28 18:55:17 +08:00
|
|
|
symm.o \
|
2007-02-08 21:17:38 +08:00
|
|
|
transform_int_so.o \
|
|
|
|
transform_int_nc.o \
|
|
|
|
transform_alphasum_nc.o \
|
|
|
|
transform_alphasum_so.o \
|
|
|
|
transform_dbecsum_so.o \
|
|
|
|
transform_dbecsum_nc.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
tra_write_matrix.o \
|
|
|
|
trntnsc.o \
|
2007-02-01 01:09:47 +08:00
|
|
|
xk_wk_collect.o \
|
2003-12-02 23:47:00 +08:00
|
|
|
write_dyn_on_file.o \
|
|
|
|
write_epsilon_and_zeu.o \
|
|
|
|
write_matrix.o \
|
|
|
|
zstar_eu.o \
|
|
|
|
zstar_eu_us.o
|
2003-01-20 05:58:50 +08:00
|
|
|
|
2004-03-15 22:56:54 +08:00
|
|
|
MODULES = \
|
2004-04-28 18:25:36 +08:00
|
|
|
../Modules/atom.o \
|
2005-08-24 22:39:52 +08:00
|
|
|
../Modules/autopilot.o \
|
2006-01-16 04:18:53 +08:00
|
|
|
../Modules/basic_algebra_routines.o \
|
2006-06-30 00:12:02 +08:00
|
|
|
../Modules/bfgs_module.o \
|
2004-06-28 18:08:53 +08:00
|
|
|
../Modules/berry_phase.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/cell_base.o \
|
|
|
|
../Modules/check_stop.o \
|
2004-06-28 18:08:53 +08:00
|
|
|
../Modules/clocks.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/constants.o \
|
2006-01-16 04:18:53 +08:00
|
|
|
../Modules/constraints_module.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/control_flags.o \
|
2007-08-10 05:02:28 +08:00
|
|
|
../Modules/descriptors.o \
|
|
|
|
../Modules/dspev_drv.o \
|
2006-01-04 00:05:59 +08:00
|
|
|
../Modules/electrons_base.o \
|
2008-01-03 17:02:32 +08:00
|
|
|
../Modules/error_handler.o \
|
2007-10-22 22:54:29 +08:00
|
|
|
../Modules/exc_t.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/fft_base.o \
|
2007-12-27 18:56:16 +08:00
|
|
|
../Modules/fft_parallel.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/fft_scalar.o \
|
|
|
|
../Modules/fft_types.o \
|
2004-04-22 22:28:37 +08:00
|
|
|
../Modules/functionals.o \
|
2004-06-28 18:08:53 +08:00
|
|
|
../Modules/input_parameters.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/io_files.o \
|
|
|
|
../Modules/io_global.o \
|
|
|
|
../Modules/ions_base.o \
|
2005-08-24 22:39:52 +08:00
|
|
|
../Modules/ions_nose.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/kind.o \
|
2006-06-30 00:12:02 +08:00
|
|
|
../Modules/metadyn_base.o \
|
|
|
|
../Modules/metadyn_io.o \
|
|
|
|
../Modules/metadyn_vars.o \
|
2007-02-15 19:51:27 +08:00
|
|
|
../Modules/metagga.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/mp_global.o \
|
|
|
|
../Modules/mp_wave.o \
|
|
|
|
../Modules/mp.o \
|
2007-11-17 22:32:10 +08:00
|
|
|
../Modules/mp_base.o \
|
2004-06-25 22:43:28 +08:00
|
|
|
../Modules/parallel_include.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/parameters.o \
|
|
|
|
../Modules/parser.o \
|
2006-06-30 00:12:02 +08:00
|
|
|
../Modules/path_base.o \
|
|
|
|
../Modules/path_formats.o \
|
|
|
|
../Modules/path_variables.o \
|
|
|
|
../Modules/path_opt_routines.o \
|
|
|
|
../Modules/path_io_routines.o \
|
|
|
|
../Modules/path_reparametrisation.o \
|
2007-11-12 22:49:09 +08:00
|
|
|
../Modules/paw_variables.o \
|
2004-11-15 20:13:22 +08:00
|
|
|
../Modules/printout_base.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/pseudo_types.o \
|
2006-02-04 02:42:08 +08:00
|
|
|
../Modules/ptoolkit.o \
|
2007-09-20 22:05:56 +08:00
|
|
|
../Modules/radial_grids.o \
|
2006-02-04 22:06:28 +08:00
|
|
|
../Modules/random_numbers.o \
|
2004-06-28 18:08:53 +08:00
|
|
|
../Modules/read_cards.o \
|
|
|
|
../Modules/read_namelists.o \
|
2006-03-07 22:00:34 +08:00
|
|
|
../Modules/read_uspp.o \
|
|
|
|
../Modules/read_upf.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/recvec.o \
|
2005-12-22 19:23:33 +08:00
|
|
|
../Modules/splinelib.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/stick_base.o \
|
2005-01-07 20:57:41 +08:00
|
|
|
../Modules/shmem_include.o \
|
2006-03-08 18:10:06 +08:00
|
|
|
../Modules/task_groups.o \
|
2005-03-15 23:48:01 +08:00
|
|
|
../Modules/timestep.o \
|
2007-03-19 03:24:56 +08:00
|
|
|
../Modules/upf_to_internal.o \
|
2004-04-14 05:49:51 +08:00
|
|
|
../Modules/uspp.o \
|
2004-03-15 22:56:54 +08:00
|
|
|
../Modules/version.o \
|
2007-10-22 22:54:29 +08:00
|
|
|
../Modules/vxc_t.o \
|
|
|
|
../Modules/vxcgc.o \
|
2005-07-04 18:34:44 +08:00
|
|
|
../Modules/wavefunctions.o \
|
2005-08-25 21:35:04 +08:00
|
|
|
../Modules/wave_base.o \
|
2007-08-10 05:02:28 +08:00
|
|
|
../Modules/xml_io_base.o \
|
|
|
|
../Modules/zhpev_drv.o
|
2003-01-20 05:58:50 +08:00
|
|
|
|
2005-03-05 01:46:02 +08:00
|
|
|
RAMAN = \
|
|
|
|
cft_wave.o \
|
|
|
|
psyme2.o \
|
|
|
|
sym_elop.o \
|
|
|
|
trntnsr_3.o \
|
|
|
|
chi_test.o \
|
|
|
|
dielec_test.o \
|
|
|
|
dvpsi_e2.o \
|
|
|
|
el_opt.o \
|
|
|
|
hdiag.o \
|
|
|
|
pcgreen.o \
|
|
|
|
ramanm.o \
|
|
|
|
syme2.o \
|
|
|
|
solve_e2.o \
|
|
|
|
solve_e_nscf.o \
|
|
|
|
write_ramtns.o \
|
|
|
|
symram.o \
|
|
|
|
d2mxc.o \
|
|
|
|
raman_mat.o\
|
|
|
|
raman.o \
|
|
|
|
dhdrhopsi.o\
|
|
|
|
set_dvscf.o
|
|
|
|
|
2006-10-04 03:26:15 +08:00
|
|
|
PWOBJS = ../PW/libpw.a
|
|
|
|
|
2005-08-04 01:00:07 +08:00
|
|
|
TLDEPS= bindir mods libs pw
|
2003-12-02 23:47:00 +08:00
|
|
|
|
2007-06-18 21:47:18 +08:00
|
|
|
all : tldeps libph.a ph.x dynmat.x matdyn.x q2r.x
|
2005-08-04 01:00:07 +08:00
|
|
|
|
2007-09-24 15:12:20 +08:00
|
|
|
ph.x : phonon.o libph.a $(PWOBJS) $(LIBOBJS)
|
2007-06-21 01:04:47 +08:00
|
|
|
$(LD) $(LDFLAGS) -o ph.x phonon.o \
|
2006-10-04 03:26:15 +08:00
|
|
|
$(MODULES) libph.a $(PWOBJS) $(LIBOBJS) $(LIBS)
|
2004-09-03 01:07:31 +08:00
|
|
|
- ( cd ../bin ; ln -fs ../PH/ph.x . )
|
2006-10-04 03:26:15 +08:00
|
|
|
|
2007-06-18 21:47:18 +08:00
|
|
|
dynmat.x : dynmat.o rigid.o $(PWOBJS) $(MODULES) $(LIBOBJS)
|
2007-06-21 01:04:47 +08:00
|
|
|
$(LD) $(LDFLAGS) -o $@ \
|
2007-06-18 21:47:18 +08:00
|
|
|
dynmat.o rigid.o $(MODULES) $(PWOBJS) $(LIBOBJS) $(LIBS)
|
2007-07-10 17:00:00 +08:00
|
|
|
- ( cd ../bin ; ln -fs ../PH/$@ . )
|
2007-06-18 21:47:18 +08:00
|
|
|
|
|
|
|
matdyn.x : matdyn.o rigid.o $(PWOBJS) $(MODULES) $(LIBOBJS)
|
2007-06-21 01:04:47 +08:00
|
|
|
$(LD) $(LDFLAGS) -o $@ \
|
2007-06-18 21:47:18 +08:00
|
|
|
matdyn.o rigid.o $(MODULES) $(PWOBJS) $(LIBOBJS) $(LIBS)
|
2007-07-10 17:00:00 +08:00
|
|
|
- ( cd ../bin ; ln -fs ../PH/$@ . )
|
2007-06-18 21:47:18 +08:00
|
|
|
|
|
|
|
q2r.x : q2r.o rigid.o $(PWOBJS) $(MODULES) $(LIBOBJS)
|
2007-06-21 01:04:47 +08:00
|
|
|
$(LD) $(LDFLAGS) -o $@ \
|
2007-06-18 21:47:18 +08:00
|
|
|
q2r.o rigid.o $(MODULES) $(PWOBJS) $(LIBOBJS) $(LIBS)
|
2007-07-10 17:00:00 +08:00
|
|
|
- ( cd ../bin ; ln -fs ../PH/$@ . )
|
2007-06-18 21:47:18 +08:00
|
|
|
|
2005-08-04 01:00:07 +08:00
|
|
|
tldeps:
|
|
|
|
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :
|
2003-12-02 23:47:00 +08:00
|
|
|
|
2006-10-04 03:26:15 +08:00
|
|
|
libph.a : $(PHOBJS) $(RAMAN)
|
|
|
|
$(AR) $(ARFLAGS) $@ $?
|
|
|
|
$(RANLIB) $@
|
|
|
|
|
2003-12-02 23:47:00 +08:00
|
|
|
clean :
|
2007-12-28 02:21:31 +08:00
|
|
|
- /bin/rm -f *.x *.o *.a *~ *.F90 *.d *.mod *.i *.L
|
2003-12-02 23:47:00 +08:00
|
|
|
|
2004-11-09 18:53:55 +08:00
|
|
|
include make.depend
|