Commit c848eb9d authored by sponce's avatar sponce

Add specfun_el and specfun_ph new input variables

and adapt the test-farm. 



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13633 c92efa57-630b-4861-b058-cf58834340f0
parent 85d48a2f
...@@ -35,7 +35,7 @@ ...@@ -35,7 +35,7 @@
ngaussw, nest_fn, nbndsub, nbndskip, & ngaussw, nest_fn, nbndsub, nbndskip, &
muc, mp_mesh_q, mp_mesh_k, max_memlt, lunif, & muc, mp_mesh_q, mp_mesh_k, max_memlt, lunif, &
lreal, lpolar, lpade, liso, limag, laniso, & lreal, lpolar, lpade, liso, limag, laniso, &
specfun, lifc, asr_typ, & specfun_el, specfun_ph, lifc, asr_typ, &
rand_q, rand_nq, rand_nk, rand_k, pwc, phonselfen, & rand_q, rand_nq, rand_nk, rand_k, pwc, phonselfen, &
parallel_q, parallel_k, & parallel_q, parallel_k, &
nw_specfun, nw, nswi, nswfc, nswc, nstemp, nsmear, & nw_specfun, nw, nswi, nswfc, nswc, nstemp, nsmear, &
...@@ -81,7 +81,8 @@ ...@@ -81,7 +81,8 @@
CALL mp_bcast (wmax, meta_ionode_id, world_comm) ! CALL mp_bcast (wmax, meta_ionode_id, world_comm) !
CALL mp_bcast (epwread, meta_ionode_id, world_comm) ! CALL mp_bcast (epwread, meta_ionode_id, world_comm) !
CALL mp_bcast (epwwrite, meta_ionode_id, world_comm) ! CALL mp_bcast (epwwrite, meta_ionode_id, world_comm) !
CALL mp_bcast (specfun, meta_ionode_id, world_comm) ! CALL mp_bcast (specfun_el, meta_ionode_id, world_comm) !
CALL mp_bcast (specfun_ph, meta_ionode_id, world_comm) !
CALL mp_bcast (wannierize, meta_ionode_id, world_comm)! JN CALL mp_bcast (wannierize, meta_ionode_id, world_comm)! JN
CALL mp_bcast (write_wfn, meta_ionode_id, world_comm) ! CALL mp_bcast (write_wfn, meta_ionode_id, world_comm) !
CALL mp_bcast (kmaps, meta_ionode_id, world_comm) ! CALL mp_bcast (kmaps, meta_ionode_id, world_comm) !
......
...@@ -34,9 +34,9 @@ ...@@ -34,9 +34,9 @@
USE epwcom, ONLY : nbndsub, lrepmatf, fsthick, epwread, longrange, & USE epwcom, ONLY : nbndsub, lrepmatf, fsthick, epwread, longrange, &
epwwrite, ngaussw, degaussw, lpolar, lifc, & epwwrite, ngaussw, degaussw, lpolar, lifc, &
nbndskip, parallel_k, parallel_q, etf_mem, & nbndskip, parallel_k, parallel_q, etf_mem, &
elecselfen, phonselfen, nest_fn, a2f, & elecselfen, phonselfen, nest_fn, a2f, specfun_ph, &
vme, eig_read, ephwrite, nkf1, nkf2, nkf3, & vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
efermi_read, fermi_energy, specfun, band_plot, & efermi_read, fermi_energy, specfun_el, band_plot, &
nqf1, nqf2, nqf3, mp_mesh_k, restart, prtgkk nqf1, nqf2, nqf3, mp_mesh_k, restart, prtgkk
USE noncollin_module, ONLY : noncolin USE noncollin_module, ONLY : noncolin
USE constants_epw, ONLY : ryd2ev, ryd2mev, one, two, czero, twopi, ci, zero USE constants_epw, ONLY : ryd2ev, ryd2mev, one, two, czero, twopi, ci, zero
...@@ -965,8 +965,8 @@ ...@@ -965,8 +965,8 @@
IF (phonselfen ) CALL selfen_phon_q( iq ) IF (phonselfen ) CALL selfen_phon_q( iq )
IF (elecselfen ) CALL selfen_elec_q( iq ) IF (elecselfen ) CALL selfen_elec_q( iq )
IF (nest_fn ) CALL nesting_fn_q( iq ) IF (nest_fn ) CALL nesting_fn_q( iq )
IF (specfun .AND. elecselfen ) CALL spectral_func_q( iq ) IF (specfun_el ) CALL spectral_func_q( iq )
IF (specfun .AND. phonselfen ) CALL spectral_func_ph( iq ) IF (specfun_ph ) CALL spectral_func_ph( iq )
IF (ephwrite) THEN IF (ephwrite) THEN
IF ( iq .eq. 1 ) THEN IF ( iq .eq. 1 ) THEN
CALL kmesh_fine CALL kmesh_fine
...@@ -1167,7 +1167,7 @@ ...@@ -1167,7 +1167,7 @@
IF (phonselfen ) CALL selfen_phon_k( ik ) IF (phonselfen ) CALL selfen_phon_k( ik )
IF (elecselfen ) CALL selfen_elec_k( ik ) IF (elecselfen ) CALL selfen_elec_k( ik )
IF (nest_fn ) CALL nesting_fn_k( ik ) IF (nest_fn ) CALL nesting_fn_k( ik )
IF (specfun ) CALL spectral_func_k( ik ) IF (specfun_el ) CALL spectral_func_k( ik )
IF (ephwrite) THEN IF (ephwrite) THEN
CALL errore('ephwann_shuffle', "parallel q not (yet) implemented with ephwrite = .true.",1) CALL errore('ephwann_shuffle', "parallel q not (yet) implemented with ephwrite = .true.",1)
ENDIF ENDIF
......
...@@ -30,9 +30,9 @@ ...@@ -30,9 +30,9 @@
USE epwcom, ONLY : nbndsub, lrepmatf, fsthick, epwread, longrange, & USE epwcom, ONLY : nbndsub, lrepmatf, fsthick, epwread, longrange, &
epwwrite, ngaussw, degaussw, lpolar, lifc, & epwwrite, ngaussw, degaussw, lpolar, lifc, &
nbndskip, parallel_k, parallel_q, etf_mem, & nbndskip, parallel_k, parallel_q, etf_mem, &
elecselfen, phonselfen, nest_fn, a2f, & elecselfen, phonselfen, nest_fn, a2f, specfun_ph, &
vme, eig_read, ephwrite, nkf1, nkf2, nkf3, & vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
efermi_read, fermi_energy, specfun, band_plot, & efermi_read, fermi_energy, specfun_el, band_plot, &
nqf1, nqf2, nqf3, mp_mesh_k, restart, prtgkk nqf1, nqf2, nqf3, mp_mesh_k, restart, prtgkk
USE noncollin_module, ONLY : noncolin USE noncollin_module, ONLY : noncolin
USE constants_epw, ONLY : ryd2ev, ryd2mev, one, two, czero, twopi, ci, zero USE constants_epw, ONLY : ryd2ev, ryd2mev, one, two, czero, twopi, ci, zero
...@@ -913,7 +913,8 @@ ...@@ -913,7 +913,8 @@
IF (phonselfen ) CALL selfen_phon_q( iq ) IF (phonselfen ) CALL selfen_phon_q( iq )
IF (elecselfen ) CALL selfen_elec_q( iq ) IF (elecselfen ) CALL selfen_elec_q( iq )
IF (nest_fn ) CALL nesting_fn_q( iq ) IF (nest_fn ) CALL nesting_fn_q( iq )
IF (specfun ) CALL spectral_func_q( iq ) IF (specfun_el ) CALL spectral_func_q( iq )
IF (specfun_ph ) CALL spectral_func_ph( iq )
IF (ephwrite) THEN IF (ephwrite) THEN
IF ( iq .eq. 1 ) THEN IF ( iq .eq. 1 ) THEN
CALL kmesh_fine CALL kmesh_fine
......
...@@ -44,13 +44,13 @@ ...@@ -44,13 +44,13 @@
conv_thr_raxis, tempsmax, tempsmin, temps, broyden_ndim, & conv_thr_raxis, tempsmax, tempsmin, temps, broyden_ndim, &
wscut, wsfc, nqstep, limag, lreal, muc, gap_edge, & wscut, wsfc, nqstep, limag, lreal, muc, gap_edge, &
conv_thr_iaxis, nqsmear, iprint, wepexst, epwread, & conv_thr_iaxis, nqsmear, iprint, wepexst, epwread, &
eliashberg, imag_read, kerread, kerwrite, lunif, specfun, & eliashberg, imag_read, kerread, kerwrite, lunif, &
fermi_energy, efermi_read, max_memlt, fila2f, & fermi_energy, efermi_read, max_memlt, fila2f, &
ep_coupling, nw_specfun, wmax_specfun, & ep_coupling, nw_specfun, wmax_specfun, &
wmin_specfun, laniso, lpolar, lifc, asr_typ, & wmin_specfun, laniso, lpolar, lifc, asr_typ, &
proj, write_wfn, iswitch, ntempxx, & proj, write_wfn, iswitch, ntempxx, &
liso, lacon, lpade, etf_mem, epbwrite, & liso, lacon, lpade, etf_mem, epbwrite, &
nsiter, conv_thr_racon, & nsiter, conv_thr_racon, specfun_el, specfun_ph, &
pwc, nswc, nswfc, nswi, filukq, filukk, & pwc, nswc, nswfc, nswi, filukq, filukk, &
nbndsub, nbndskip, system_2d, delta_approx, & nbndsub, nbndskip, system_2d, delta_approx, &
title, int_mob, scissor, iterative_bte, scattering, & title, int_mob, scissor, iterative_bte, scattering, &
...@@ -111,13 +111,13 @@ ...@@ -111,13 +111,13 @@
nqf1, nqf2, nqf3, nkf1, nkf2, nkf3, & nqf1, nqf2, nqf3, nkf1, nkf2, nkf3, &
mp_mesh_k, mp_mesh_q, filqf, filkf, ephwrite, & mp_mesh_k, mp_mesh_q, filqf, filkf, ephwrite, &
band_plot, degaussq, delta_qsmear, nqsmear, nqstep, & band_plot, degaussq, delta_qsmear, nqsmear, nqstep, &
nswfc, nswc, nswi, pwc, wsfc, wscut, & nswfc, nswc, nswi, pwc, wsfc, wscut, system_2d, &
broyden_beta, broyden_ndim, nstemp, tempsmin, tempsmax, temps, & broyden_beta, broyden_ndim, nstemp, tempsmin, tempsmax, temps, &
conv_thr_raxis, conv_thr_iaxis, conv_thr_racon, & conv_thr_raxis, conv_thr_iaxis, conv_thr_racon, &
gap_edge, nsiter, muc, lreal, limag, lpade, lacon, liso, laniso, lpolar,& gap_edge, nsiter, muc, lreal, limag, lpade, lacon, liso, laniso, lpolar,&
lifc, asr_typ, lunif, kerwrite, kerread, imag_read, eliashberg, & lifc, asr_typ, lunif, kerwrite, kerread, imag_read, eliashberg, &
ep_coupling, fila2f, max_memlt, efermi_read, fermi_energy, & ep_coupling, fila2f, max_memlt, efermi_read, fermi_energy, &
specfun, wmin_specfun, wmax_specfun, nw_specfun, system_2d, & specfun_el, specfun_ph, wmin_specfun, wmax_specfun, nw_specfun, &
delta_approx, scattering, int_mob, scissor, ncarrier, carrier, & delta_approx, scattering, int_mob, scissor, ncarrier, carrier, &
iterative_bte, scattering_serta, scattering_0rta, longrange, shortrange,& iterative_bte, scattering_serta, scattering_0rta, longrange, shortrange,&
restart, restart_freq, prtgkk restart, restart_freq, prtgkk
...@@ -217,19 +217,18 @@ ...@@ -217,19 +217,18 @@
! lunif : if .true. a uniform grid is defined between wsfc and wscut for real-axis calculations ! lunif : if .true. a uniform grid is defined between wsfc and wscut for real-axis calculations
! kerwrite: if .true. write Kp and Km to files .ker for real-axis calculations ! kerwrite: if .true. write Kp and Km to files .ker for real-axis calculations
! kerread : if .true. read Kp and Km from files .ker for real-axis calculations ! kerread : if .true. read Kp and Km from files .ker for real-axis calculations
! imag_read : if .true. read from files Delta and Znorm on the imaginary-axis ! imag_read : if .true. read from files Delta and Znorm on the imaginary-axis
! eliashberg : if .true. solve the Eliashberg equations ! eliashberg : if .true. solve the Eliashberg equations
! ep_coupling : if .true. run e-p coupling calculation ! ep_coupling : if .true. run e-p coupling calculation
! fila2f : input file with eliashberg spectral function ! fila2f : input file with eliashberg spectral function
! max_memlt : maximum memory that can be allocated per pool ! max_memlt : maximum memory that can be allocated per pool
! efermi_read : if. true. read from input file ! efermi_read : if. true. read from input file
! fermi_energy : fermi eneergy read from input file (units of eV) ! fermi_energy : fermi eneergy read from input file (units of eV)
! specfun : if .TRUE. calculate electron spectral function due to e-p interaction
! wmin_specfun : min frequency in electron spectral function due to e-p interaction (units of eV) ! wmin_specfun : min frequency in electron spectral function due to e-p interaction (units of eV)
! wmax_specfun : max frequency in electron spectral function due to e-p interaction (units of eV) ! wmax_specfun : max frequency in electron spectral function due to e-p interaction (units of eV)
! nw_specfun : nr. of bins for frequency in electron spectral function due to e-p interaction ! nw_specfun : nr. of bins for frequency in electron spectral function due to e-p interaction
! system_2d : if .true. two-dimensional system (vaccum is in z-direction) ! system_2d : if .true. two-dimensional system (vaccum is in z-direction)
! delta_approx: if .true. the double delta approximation is used to compute the phonon self-energy ! delta_approx : if .true. the double delta approximation is used to compute the phonon self-energy
! !
! added by CV & SP ! added by CV & SP
! lpolar : if .true. enable the correct Wannier interpolation in the case of polar material. ! lpolar : if .true. enable the correct Wannier interpolation in the case of polar material.
...@@ -238,6 +237,8 @@ ...@@ -238,6 +237,8 @@
! !
! Added by SP ! Added by SP
! !
! specfun_el : if .TRUE. calculate electron spectral function due to e-p interaction
! specfun_ph : if .TRUE. calculate phonon spectral function due to e-p interaction
! restart : if .true. a run can be restarted from the interpolation level ! restart : if .true. a run can be restarted from the interpolation level
! restart_freq : Create a restart point every restart_freq q/k-points ! restart_freq : Create a restart point every restart_freq q/k-points
! scattering : if .true. scattering rates are calculated ! scattering : if .true. scattering rates are calculated
...@@ -302,7 +303,8 @@ ...@@ -302,7 +303,8 @@
elph = .false. elph = .false.
elecselfen = .false. elecselfen = .false.
phonselfen = .false. phonselfen = .false.
specfun = .false. specfun_el = .false.
specfun_ph = .false.
epbread = .false. epbread = .false.
epbwrite = .false. epbwrite = .false.
epwread = .false. epwread = .false.
...@@ -496,7 +498,7 @@ ...@@ -496,7 +498,7 @@
&' nqstep must be at least 2', 1) &' nqstep must be at least 2', 1)
IF ((nbndsub.gt.200)) CALL errore ('epw_readin', & IF ((nbndsub.gt.200)) CALL errore ('epw_readin', &
' too many wannier functions increase size of projx', 1) ' too many wannier functions increase size of projx', 1)
IF (( phonselfen .or. elecselfen .or. specfun ) .and. ( mp_mesh_k .or. mp_mesh_q )) & IF (( phonselfen .or. elecselfen .or. specfun_el .or. specfun_ph ) .and. ( mp_mesh_k .or. mp_mesh_q )) &
CALL errore('epw_readin', 'can only work with full uniform mesh',1) CALL errore('epw_readin', 'can only work with full uniform mesh',1)
IF (ephwrite .and. .not.ep_coupling .and. .not.elph ) CALL errore('epw_readin', & IF (ephwrite .and. .not.ep_coupling .and. .not.elph ) CALL errore('epw_readin', &
&'ephwrite requires ep_coupling=.true., elph=.true.',1) &'ephwrite requires ep_coupling=.true., elph=.true.',1)
......
...@@ -160,8 +160,10 @@ ...@@ -160,8 +160,10 @@
LOGICAL :: restart LOGICAL :: restart
!! if .TRUE. restart a calculation stopped during the interpolation phase from reading !! if .TRUE. restart a calculation stopped during the interpolation phase from reading
!! the XXX.restart file. !! the XXX.restart file.
LOGICAL :: specfun LOGICAL :: specfun_el
!! if .TRUE. calculate spectral electron function due to e-p interaction !! if .TRUE. calculate spectral electron function due to e-p interaction
LOGICAL :: specfun_ph
!! if .TRUE. calculate spectral phonon function due to e-p interaction
LOGICAL :: wannierize LOGICAL :: wannierize
!! if .TRUE. run the wannier90 code !! if .TRUE. run the wannier90 code
LOGICAL :: parallel_k LOGICAL :: parallel_k
......
...@@ -31,7 +31,7 @@ ...@@ -31,7 +31,7 @@
use phcom, ONLY : nmodes use phcom, ONLY : nmodes
use epwcom, ONLY : nbndsub, lrepmatf, fsthick, & use epwcom, ONLY : nbndsub, lrepmatf, fsthick, &
eptemp, ngaussw, degaussw, shortrange, & eptemp, ngaussw, degaussw, shortrange, &
nsmear, delta_smear, eps_acustic, specfun, & nsmear, delta_smear, eps_acustic, specfun_ph, &
efermi_read, fermi_energy, delta_approx efermi_read, fermi_energy, delta_approx
use pwcom, ONLY : nelec, ef, isk use pwcom, ONLY : nelec, ef, isk
use elph2, ONLY : epf17, ibndmax, ibndmin, etf, & use elph2, ONLY : epf17, ibndmax, ibndmin, etf, &
...@@ -360,7 +360,7 @@ ...@@ -360,7 +360,7 @@
WRITE(stdout, 103) lambda_tot WRITE(stdout, 103) lambda_tot
WRITE(stdout, 105) lambda_tr_tot WRITE(stdout, 105) lambda_tr_tot
! !
IF (.NOT. specfun) THEN IF (.NOT. specfun_ph) THEN
WRITE(stdout,'(5x,a/)') repeat('-',67) WRITE(stdout,'(5x,a/)') repeat('-',67)
WRITE( stdout, '(/5x,a,i8,a,i8/)' ) & WRITE( stdout, '(/5x,a,i8,a,i8/)' ) &
'Number of (k,k+q) pairs on the Fermi surface: ',fermicount, ' out of ', nkqtotf/2 'Number of (k,k+q) pairs on the Fermi surface: ',fermicount, ' out of ', nkqtotf/2
......
...@@ -40,52 +40,52 @@ run-tests-serial : run-tests-cp-serial run-tests-pw-serial ...@@ -40,52 +40,52 @@ run-tests-serial : run-tests-cp-serial run-tests-pw-serial
run-tests-parallel : run-tests-cp-parallel run-tests-pw-parallel run-tests-parallel : run-tests-cp-parallel run-tests-pw-parallel
run-tests-cp-serial : prolog pseudo run-tests-cp-serial : clean prolog pseudo
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=cp_all env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=cp_all
run-tests-cp-parallel : prolog pseudo run-tests-cp-parallel : clean prolog pseudo
env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=cp_all env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=cp_all
run-tests-pw-serial : prolog pseudo run-tests-pw-serial : clean prolog pseudo
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=pw_all env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=pw_all
run-tests-pw-parallel : prolog pseudo run-tests-pw-parallel : clean prolog pseudo
env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=pw_all env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=pw_all
run-tests-ph-serial : prolog pseudo run-tests-ph-serial : clean prolog pseudo
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=ph_base env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=ph_base
run-tests-ph-parallel : prolog pseudo run-tests-ph-parallel : clean prolog pseudo
env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=ph_base env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=ph_base
run-tests-epw-serial : prolog pseudo run-tests-epw-serial : clean prolog pseudo
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_all env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_all
run-tests-epw-parallel : prolog pseudo run-tests-epw-parallel : clean prolog pseudo
env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_all env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_all
run-travis : prolog pseudo run-travis : clean prolog pseudo
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_base env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_base
run-custom-test : run-custom-test-serial run-custom-test : run-custom-test-serial
run-custom-test-serial : prolog pseudo run-custom-test-serial : clean prolog pseudo
@if test -d $(testdir); then \ @if test -d $(testdir); then \
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=$(testdir) ; fi env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=$(testdir) ; fi
run-custom-test-parallel : prolog pseudo run-custom-test-parallel : clean prolog pseudo
@if test -d $(testdir); then \ @if test -d $(testdir); then \
env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=$(testdir) ; fi env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=$(testdir) ; fi
run-tests-xsd-pw-serial : prolog pseudo run-tests-xsd-pw-serial : clean prolog pseudo
cd xsd_pw ; for file in ./*.in ; do \ cd xsd_pw ; for file in ./*.in ; do \
echo "Running using $$file" ; \ echo "Running using $$file" ; \
env QE_USE_MPI=0 ../run-pw.sh -in $$file &> $$file.out ; \ env QE_USE_MPI=0 ../run-pw.sh -in $$file &> $$file.out ; \
python ../validate_xsd_pw.py $$file; \ python ../validate_xsd_pw.py $$file; \
done ; cd .. done ; cd ..
create-reference-cp : pseudo prolog create-reference-cp : pseudo prolog
env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --category=cp_all make-benchmarks env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --category=cp_all make-benchmarks
create-reference-pw : pseudo prolog create-reference-pw : pseudo prolog
......
...@@ -30,7 +30,7 @@ ...@@ -30,7 +30,7 @@
phonselfen = .false. phonselfen = .false.
a2f = .false. a2f = .false.
specfun = .true. specfun_el = .true.
wmin_specfun = -4 wmin_specfun = -4
wmax_specfun = 1 wmax_specfun = 1
nw_specfun = 20 nw_specfun = 20
......
...@@ -31,7 +31,7 @@ ...@@ -31,7 +31,7 @@
phonselfen = .false. phonselfen = .false.
a2f = .false. a2f = .false.
specfun = .true. specfun_el = .true.
wmin_specfun = -4 wmin_specfun = -4
wmax_specfun = 1 wmax_specfun = 1
nw_specfun = 20 nw_specfun = 20
......
...@@ -31,7 +31,7 @@ ...@@ -31,7 +31,7 @@
phonselfen = .true. phonselfen = .true.
a2f = .false. a2f = .false.
specfun = .true. specfun_ph = .true.
wmin_specfun = 0 wmin_specfun = 0
wmax_specfun = 20 wmax_specfun = 20
nw_specfun = 20 nw_specfun = 20
......
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