"Fossies" - the Fresh Open Source Software Archive  

Source code changes report for "abinit" between the packages
abinit-9.0.4.tar.gz and abinit-9.2.1.tar.gz

About: ABINIT implements Density Functional Theory (DFT), using a plane wave basis set and pseudopotentials, to compute the total energy, charge density and electronic structure of materials ranging from molecules to surfaces to solids.

Summary:

The "abinit" source code changed by about 56.6% and now consists of 10589 regular files (+4513) and 600 directories (+292).

Related Informations:

See ChangeLog NEWS, RELNOTES (abinit 9.2.1).

Changes In Files (According File Type):

File TypeTotalAddedRemovedChanged
Header file 21 0 0 2
C program 52 3 0 4
C++ program 2 0 0 0
Fortran program 742 12 2 318
Objective-C program 8 1 0 0
Perl module 1 0 0 0
Perl program 8 1 0 0
Python program 362 220 1 13
Shell program 76 45 0 1
Automake file 219 10 5 201
CoffeeScript file 5 0 0 0
Configuration file 88 9 0 5
Initialization file 2 1 0 0
JavaScript file 4 0 0 0
JSON file 2 0 0 0
M4 macro file 71 1 0 13
Makefile 2 1 0 1
Man page 5 0 0 0
Manifest file 1 0 0 0
Module-Definition file 2 1 0 0
Pkg-config file 1 0 0 0
SGML document 97 1 0 6
XML document 286 179 14 4
BibTeX document 1 0 0 1
Configure script 1 0 0 1
CSS style sheet 3 0 0 0
Data List 19 8 0 5
Git file 3 2 0 0
HTML page 67 3 1 0
Include file 1 0 0 0
Log file 2 1 0 0
Message file 21 0 0 9
Molecule spec file 2 1 0 0
OpenOffice document 1 0 0 0
Parameter file 2 1 0 0
PostScript file 14 6 0 0
Qt Project file 1 1 0 0
Qt UI file 1 1 0 0
Resource file 1 0 0 0
TeX document 56 4 20 1
YAML file 8 4 0 0
Data file 3125 1663 19 771
Icon 1 0 0 0
Image file 191 7 2 9
PDF file 8 8 0 0
Vector Image file 23 1 0 0
Directory 603 295 3 0
Archive 88 42 2 0
Change log 14 2 0 1
Information file 20 2 0 5
License 10 3 0 0
Readme file 159 69 4 5
Text file 4995 2514 247 1108
Other 11 2 0 0
Total Files1150951253202484



Header Files (2 of 21):

NameStatusDeltaVisual Diff
config.h.in changed 0.5% diff
shared/common/src/incs/abi_common.h changed 24.9% diff

C Programs (7 of 52):

NameStatusDeltaVisual Diff
doc/tests/Timeout/timeout.c added
scripts/post_processing/matlab_data_analysis/mexData.c added
shared/common/src/12_hide_mpi/xmpi_iallgather.finc added
shared/common/src/12_hide_mpi/xmpi_ibcast.finc changed 44.6% diff
shared/common/src/12_hide_mpi/xmpi_isum.finc changed 60.3% diff
shared/common/src/33_xc_lowlevel/libxc_tools.c changed 68.8% diff
shared/libpaw/src/libpaw_libxc.c changed 73.7% diff

Fortran Programs (332 of 742):

NameStatusDeltaVisual Diff
scripts/post_processing/appa/birch/benf.f added
scripts/post_processing/appa/fortran/math.f90 added
scripts/post_processing/appa/fortran/positions.f90 added
scripts/post_processing/appa/fortran/topology.f90 added
scripts/post_processing/dynamic_pol.f added
scripts/post_processing/posdopspectra.F90 added
shared/common/src/02_clib/m_clib.F90 changed 0.6% diff
shared/common/src/10_defs/defs_basis.F90 changed 3.0% diff
shared/common/src/10_defs/defs_datatypes.F90 changed 5.2% diff
shared/common/src/11_memory_mpi/m_profiling_abi.F90 changed 0.5% diff
shared/common/src/12_hide_mpi/m_xmpi.F90 changed 2.1% diff
shared/common/src/12_hide_mpi/m_xomp.F90 changed 0.3% diff
shared/common/src/14_hidewrite/m_abicore.F90 changed 0.9% diff
shared/common/src/14_hidewrite/m_cppopts_dumper.F90 changed 0.8% diff
shared/common/src/14_hidewrite/m_fstrings.F90 changed 3.2% diff
shared/common/src/14_hidewrite/m_io_tools.F90 changed 4.1% diff
shared/common/src/14_hidewrite/m_specialmsg.F90 changed 10.7% diff
shared/common/src/16_hideleave/m_errors.F90 changed 1.0% diff
shared/common/src/16_hideleave/m_xieee.F90 changed 0.8% diff
shared/common/src/17_gpu_toolbox/m_gpu_detect.F90 changed 0.6% diff
shared/common/src/17_gpu_toolbox/m_gpu_toolbox.F90 changed 2.7% diff
shared/common/src/17_gpu_toolbox/m_initcuda.F90 changed 0.2% diff
shared/common/src/17_libtetra_ext/m_krank.F90 changed 86.3% diff
shared/common/src/17_libtetra_ext/m_simtet.F90 changed 0.03% diff
shared/common/src/17_libtetra_ext/m_tetrahedron.F90 changed 0.04% diff
shared/common/src/17_yaml_out/m_pair_list.F90 changed 0.2% diff
shared/common/src/17_yaml_out/m_stream_string.F90 changed 0.3% diff
shared/common/src/17_yaml_out/m_type_pair_list.F90 changed 2.7% diff
shared/common/src/17_yaml_out/m_yaml.F90 changed 0.05% diff
shared/common/src/18_timing/m_time.F90 changed 4.6% diff
shared/common/src/18_timing/m_xpapi.F90 changed 0.3% diff
shared/common/src/21_hashfuncs/m_hash_md5.F90 changed 0.3% diff
shared/common/src/21_hashfuncs/test_md5_sum_from_file.F90 changed 0.9% diff
shared/common/src/21_hashfuncs/test_md5_sum_from_string.F90 changed 1.5% diff
shared/common/src/27_toolbox_oop/m_copy.F90 changed 2.0% diff
shared/common/src/27_toolbox_oop/m_iterators.F90 changed 1.5% diff
shared/common/src/27_toolbox_oop/m_mpiotk.F90 changed 0.1% diff
shared/common/src/27_toolbox_oop/m_nctk.F90 changed 0.8% diff
shared/common/src/28_numeric_noabirule/m_abi_linalg.F90 changed 0.1% diff
shared/common/src/28_numeric_noabirule/m_array.F90 changed 1.0% diff
shared/common/src/28_numeric_noabirule/m_bessel.F90 changed 0.04% diff
shared/common/src/28_numeric_noabirule/m_bspline.F90 changed 0.04% diff
shared/common/src/28_numeric_noabirule/m_cplxtools.F90 changed 0.1% diff
shared/common/src/28_numeric_noabirule/m_elpa.F90 changed 0.1% diff
shared/common/src/28_numeric_noabirule/m_gaussian_quadrature.F90 changed 0.05% diff
shared/common/src/28_numeric_noabirule/m_hide_blas.F90 changed 7.5% diff
shared/common/src/28_numeric_noabirule/m_hide_lapack.F90 changed 1.3% diff
shared/common/src/28_numeric_noabirule/m_lebedev.F90 changed 0.01% diff
shared/common/src/28_numeric_noabirule/m_levenberg_marquardt.F90 changed 0.1% diff
shared/common/src/28_numeric_noabirule/m_lib_four.F90 changed 0.3% diff
shared/common/src/28_numeric_noabirule/m_linalg_interfaces.F90 changed 0.03% diff
shared/common/src/28_numeric_noabirule/m_numeric_tools.F90 changed 1.9% diff
shared/common/src/28_numeric_noabirule/m_per_cond.F90 changed 0.4% diff
shared/common/src/28_numeric_noabirule/m_random_zbq.F90 changed 0.3% diff
shared/common/src/28_numeric_noabirule/m_slk.F90 changed 0.3% diff
shared/common/src/28_numeric_noabirule/m_sort.F90 changed 5.0% diff
shared/common/src/28_numeric_noabirule/m_splines.F90 changed 11.5% diff
shared/common/src/29_kpoints/m_hashtable.F90 changed 0.5% diff
shared/common/src/29_kpoints/m_htetra.F90 changed 30.7% diff
shared/common/src/29_kpoints/m_octree.F90 changed 0.2% diff
shared/common/src/29_kpoints/m_symkpt.F90 changed 10.0% diff
shared/common/src/32_util/m_atomdata.F90 changed 0.3% diff
shared/common/src/32_util/m_exp_mat.F90 changed 0.7% diff
shared/common/src/32_util/m_integrals.F90 changed 0.6% diff
shared/common/src/32_util/m_matrix.F90 changed 0.1% diff
shared/common/src/32_util/m_pptools.F90 changed 0.1% diff
shared/common/src/32_util/m_special_funcs.F90 changed 0.1% diff
shared/common/src/32_util/m_symtk.F90 changed 20.1% diff
shared/common/src/32_util/test_radsintr.F90 changed 1.1% diff
shared/common/src/33_xc_lowlevel/m_drivexc.F90 changed 0.5% diff
shared/common/src/33_xc_lowlevel/m_libxc_functionals.F90 changed 13.8% diff
shared/common/src/33_xc_lowlevel/m_xc_noncoll.F90 changed 0.1% diff
shared/common/src/33_xc_lowlevel/m_xchcth.F90 changed 0.1% diff
shared/common/src/33_xc_lowlevel/m_xciit.F90 changed 0.4% diff
shared/common/src/33_xc_lowlevel/m_xclda.F90 changed 0.1% diff
shared/common/src/33_xc_lowlevel/m_xcpbe.F90 changed 0.01% diff
shared/common/src/33_xc_lowlevel/m_xcpositron.F90 changed 0.2% diff
shared/libpaw/src/m_libpaw_defs.F90 changed 0.5% diff
shared/libpaw/src/m_libpaw_libxc.F90 changed 13.3% diff
shared/libpaw/src/m_libpaw_mpi.F90 changed 0.03% diff
shared/libpaw/src/m_libpaw_tools.F90 changed 0.1% diff
shared/libpaw/src/m_paral_atom.F90 changed 0.3% diff
shared/libpaw/src/m_paw_an.F90 changed 0.03% diff
shared/libpaw/src/m_paw_atom.F90 changed 0.1% diff
shared/libpaw/src/m_paw_finegrid.F90 changed 0.1% diff
shared/libpaw/src/m_paw_gaussfit.F90 changed 0.1% diff
shared/libpaw/src/m_paw_ij.F90 changed 0.02% diff
shared/libpaw/src/m_paw_io.F90 changed 0.3% diff
shared/libpaw/src/m_paw_numeric.F90 changed 0.3% diff
shared/libpaw/src/m_paw_onsite.F90 changed 0.2% diff
shared/libpaw/src/m_paw_sphharm.F90 changed 2.6% diff
shared/libpaw/src/m_pawang.F90 changed 0.1% diff
shared/libpaw/src/m_pawcprj.F90 changed 0.03% diff
shared/libpaw/src/m_pawdij.F90 changed 0.01% diff
shared/libpaw/src/m_pawfgrtab.F90 changed 0.05% diff
shared/libpaw/src/m_pawpsp.F90 changed 0.02% diff
shared/libpaw/src/m_pawrad.F90 changed 0.05% diff
shared/libpaw/src/m_pawrhoij.F90 changed 0.02% diff
shared/libpaw/src/m_pawtab.F90 changed 0.03% diff
shared/libpaw/src/m_pawxc.F90 changed 0.1% diff
shared/libpaw/src/m_pawxmlps.F90 changed 0.4% diff
src/41_geometry/m_crystal.F90 changed 11.9% diff
src/41_geometry/m_ewald.F90 changed 4.8% diff
src/41_geometry/m_geometry.F90 changed 1.7% diff
src/41_geometry/m_gtermcutoff.F90 added
src/41_geometry/m_symfind.F90 changed 0.7% diff
src/42_parser/m_parser.F90 changed 17.0% diff
src/43_ptgroups/m_ptg_C1.F90 changed 1.3% diff
src/43_ptgroups/m_ptg_C2.F90 changed 1.1% diff
src/43_ptgroups/m_ptg_C2h.F90 changed 0.8% diff
src/43_ptgroups/m_ptg_C2v.F90 changed 0.8% diff
src/43_ptgroups/m_ptg_C3.F90 changed 0.9% diff
src/43_ptgroups/m_ptg_C3h.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_C3i.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_C3v.F90 changed 0.7% diff
src/43_ptgroups/m_ptg_C4.F90 changed 0.8% diff
src/43_ptgroups/m_ptg_C4h.F90 changed 0.4% diff
src/43_ptgroups/m_ptg_C4v.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_C6.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_C6h.F90 changed 0.2% diff
src/43_ptgroups/m_ptg_C6v.F90 changed 0.3% diff
src/43_ptgroups/m_ptg_Ci.F90 changed 1.1% diff
src/43_ptgroups/m_ptg_Cs.F90 changed 1.1% diff
src/43_ptgroups/m_ptg_D2.F90 changed 0.8% diff
src/43_ptgroups/m_ptg_D2d.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_D2h.F90 changed 0.8% diff
src/43_ptgroups/m_ptg_D3.F90 changed 0.7% diff
src/43_ptgroups/m_ptg_D3d.F90 changed 0.7% diff
src/43_ptgroups/m_ptg_D3h.F90 changed 0.7% diff
src/43_ptgroups/m_ptg_D4.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_D4h.F90 changed 0.4% diff
src/43_ptgroups/m_ptg_D6.F90 changed 0.7% diff
src/43_ptgroups/m_ptg_D6h.F90 changed 0.5% diff
src/43_ptgroups/m_ptg_O.F90 changed 0.4% diff
src/43_ptgroups/m_ptg_Oh.F90 changed 0.3% diff
src/43_ptgroups/m_ptg_S4.F90 changed 0.8% diff
src/43_ptgroups/m_ptg_T.F90 changed 0.4% diff
src/43_ptgroups/m_ptg_Td.F90 changed 0.4% diff
src/43_ptgroups/m_ptg_Th.F90 changed 0.3% diff
src/43_ptgroups/m_ptgroups.F90 changed 1.4% diff
src/44_abitools/m_cgtools.F90 changed 0.5% diff
src/44_abitools/m_dynmat.F90 changed 12.7% diff
src/44_abitools/m_optic_tools.F90 changed 2.7% diff
src/44_abitypes_defs/m_dtfil.F90 changed 1.2% diff
src/44_abitypes_defs/m_dtset.F90 changed 6.9% diff
src/44_abitypes_defs/m_energies.F90 changed 7.6% diff
src/45_geomoptim/m_abihist.F90 changed 1.0% diff
src/45_geomoptim/m_lbfgs.F90 changed 0.4% diff
src/45_geomoptim/m_pred_bfgs.F90 changed 0.1% diff
src/49_gw_toolbox_oop/m_bs_defs.F90 changed 0.2% diff
src/49_gw_toolbox_oop/m_gwdefs.F90 changed 0.2% diff
src/49_gw_toolbox_oop/m_melemts.F90 changed 0.2% diff
src/51_manage_mpi/m_mpinfo.F90 changed 0.04% diff
src/52_fft_mpi_noabirule/m_fft_mesh.F90 changed 5.2% diff
src/52_fft_mpi_noabirule/m_fftcore.F90 changed 4.0% diff
src/53_ffts/m_fft.F90 changed 0.1% diff
src/54_spacepar/m_spacepar.F90 changed 2.1% diff
src/55_abiutil/m_dens.F90 changed 1.5% diff
src/55_abiutil/m_timana.F90 changed 1.8% diff
src/56_io_mpi/m_exit.F90 changed 0.2% diff
src/56_io_mpi/m_hdr.F90 changed 6.2% diff
src/56_recipspace/m_bz_mesh.F90 changed 1.6% diff
src/56_recipspace/m_gsphere.F90 changed 2.7% diff
src/56_recipspace/m_kg.F90 changed 10.9% diff
src/56_recipspace/m_kpts.F90 changed 4.3% diff
src/56_recipspace/m_lgroup.F90 changed 7.8% diff
src/56_recipspace/m_skw.F90 changed 13.7% diff
src/56_xc/m_kxc.F90 changed 1.1% diff
src/56_xc/m_rhotoxc.F90 changed 0.8% diff
src/56_xc/m_xcdata.F90 changed 5.9% diff
src/57_iopsp_parser/m_pspheads.F90 changed 8.4% diff
src/57_iovars/m_chkinp.F90 changed 2.1% diff
src/57_iovars/m_ingeo.F90 changed 7.0% diff
src/57_iovars/m_inkpts.F90 changed 2.1% diff
src/57_iovars/m_intagm_img.F90 removed
src/57_iovars/m_invars1.F90 changed 8.0% diff
src/57_iovars/m_invars2.F90 changed 1.9% diff
src/57_iovars/m_mpi_setup.F90 changed 0.1% diff
src/57_iovars/m_outvar_a_h.F90 changed 1.8% diff
src/57_iovars/m_outvars.F90 changed 0.5% diff
src/61_occeig/m_ebands.F90 changed 26.0% diff
src/61_occeig/m_fstab.F90 changed 5.9% diff
src/61_occeig/m_occ.F90 changed 45.5% diff
src/62_cg_noabirule/m_cgtk.F90 changed 0.02% diff
src/62_ctqmc/m_Ctqmc.F90 changed 0.3% diff
src/62_iowfdenpot/m_io_screening.F90 changed 0.3% diff
src/62_iowfdenpot/m_wfk.F90 changed 4.3% diff
src/62_poisson/m_barevcoul.F90 added
src/62_poisson/m_cutoff_cylinder.F90 added
src/62_poisson/m_cutoff_sphere.F90 added
src/62_poisson/m_cutoff_surface.F90 added
src/62_poisson/m_qplusg.F90 changed 2.3% diff
src/62_poisson/m_vcoul.F90 changed 33.8% diff
src/64_psp/m_atm2fft.F90 changed 1.1% diff
src/64_psp/m_pspini.F90 changed 1.3% diff
src/64_psp/m_psps.F90 changed 0.2% diff
src/65_paw/m_paw_atomorb.F90 changed 0.2% diff
src/65_paw/m_paw_mkaewf.F90 changed 0.5% diff
src/65_paw/m_paw_pwaves_lmn.F90 changed 0.3% diff
src/65_paw/m_paw_slater.F90 changed 0.1% diff
src/66_nonlocal/m_fock.F90 changed 1.9% diff
src/66_nonlocal/m_hamiltonian.F90 changed 0.004% diff
src/66_nonlocal/m_mkffnl.F90 changed 26.7% diff
src/66_wfs/m_esymm.F90 changed 0.5% diff
src/66_wfs/m_fock_getghc.F90 changed 0.3% diff
src/66_wfs/m_getgh1c.F90 changed 13.8% diff
src/67_common/m_common.F90 changed 0.4% diff
src/67_common/m_dft_energy.F90 changed 2.9% diff
src/67_common/m_ephtk.F90 changed 34.4% diff
src/67_common/m_extraprho.F90 changed 0.4% diff
src/67_common/m_forces.F90 changed 1.1% diff
src/67_common/m_forstr.F90 changed 1.2% diff
src/67_common/m_ioarr.F90 changed 1.8% diff
src/67_common/m_iowf.F90 changed 0.9% diff
src/67_common/m_ksdiago.F90 changed 1.2% diff
src/67_common/m_mklocl.F90 changed 1.3% diff
src/67_common/m_odamix.F90 changed 1.1% diff
src/67_common/m_positron.F90 changed 0.2% diff
src/67_common/m_rhotov.F90 changed 0.6% diff
src/67_common/m_setvtr.F90 changed 2.2% diff
src/67_common/m_sigtk.F90 changed 26.0% diff
src/67_common/m_stress.F90 changed 2.7% diff
src/68_rsprc/m_newrho.F90 changed 0.1% diff
src/68_rsprc/m_newvtr.F90 changed 0.1% diff
src/68_rsprc/m_prcref.F90 changed 0.6% diff
src/69_wfdesc/m_io_kss.F90 changed 0.1% diff
src/69_wfdesc/m_wfd.F90 changed 22.5% diff
src/69_wfdesc/m_wfd_optic.F90 changed 5.8% diff
src/70_gw/m_calc_ucrpa.F90 changed 0.1% diff
src/70_gw/m_chi0.F90 changed 3.2% diff
src/70_gw/m_chi0tk.F90 changed 5.4% diff
src/70_gw/m_classify_bands.F90 changed 1.4% diff
src/70_gw/m_cohsex.F90 changed 1.7% diff
src/70_gw/m_gwls_hamiltonian.F90 changed 0.2% diff
src/70_gw/m_gwls_QR_factorization.F90 changed 0.1% diff
src/70_gw/m_plowannier.F90 changed 0.03% diff
src/70_gw/m_ppmodel.F90 changed 0.2% diff
src/70_gw/m_prep_calc_ucrpa.F90 changed 1.4% diff
src/70_gw/m_qparticles.F90 changed 0.3% diff
src/70_gw/m_screen.F90 changed 0.3% diff
src/70_gw/m_sigc.F90 changed 9.1% diff
src/70_gw/m_sigma.F90 changed 0.2% diff
src/70_gw/m_sigx.F90 changed 1.8% diff
src/70_gw/m_vhxc_me.F90 changed 1.2% diff
src/71_bse/m_exc_analyze.F90 changed 1.4% diff
src/71_bse/m_exc_build.F90 changed 3.8% diff
src/71_bse/m_exc_diago.F90 changed 8.5% diff
src/71_wannier/m_mlwfovlp_qp.F90 changed 1.3% diff
src/72_response/m_d2frnl.F90 changed 1.1% diff
src/72_response/m_ddb.F90 changed 25.1% diff
src/72_response/m_ddb_hdr.F90 changed 2.6% diff
src/72_response/m_ddk.F90 changed 36.8% diff
src/72_response/m_dfpt_elt.F90 changed 0.5% diff
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src/72_response/m_dfpt_rhotov.F90 changed 0.8% diff
src/72_response/m_dfpt_scfcv.F90 changed 0.2% diff
src/72_response/m_dfptnl_pert.F90 changed 16.3% diff
src/72_response/m_dvdb.F90 changed 10.7% diff
src/72_response/m_efmas.F90 changed 0.1% diff
src/72_response/m_eig2d.F90 changed 0.4% diff
src/77_ddb/m_ddb_diel.F90 changed 52.5% diff
src/77_ddb/m_ddb_flexo.F90 changed 0.1% diff
src/77_ddb/m_ddb_interpolate.F90 changed 0.5% diff
src/77_ddb/m_elphon.F90 changed 1.3% diff
src/77_ddb/m_gruneisen.F90 changed 0.9% diff
src/77_ddb/m_harmonic_thermo.F90 changed 2.0% diff
src/77_ddb/m_ifc.F90 changed 5.0% diff
src/77_ddb/m_phonons.F90 changed 0.8% diff
src/77_ddb/m_thmeig.F90 changed 0.2% diff
src/78_effpot/m_effective_potential.F90 changed 0.1% diff
src/78_effpot/m_effective_potential_file.F90 changed 0.8% diff
src/78_effpot/m_fit_polynomial_coeff.F90 changed 6.2% diff
src/78_effpot/m_lattice_harmonic_potential.F90 changed 9.1% diff
src/78_effpot/m_lattice_io_netcdf.F90 changed 4.1% diff
src/78_effpot/m_linked_list.F90 changed 3.5% diff
src/78_effpot/m_multibinit_dataset.F90 changed 11.0% diff
src/78_effpot/m_multibinit_manager.F90 changed 1.8% diff
src/78_effpot/m_opt_effpot.F90 changed 19.4% diff
src/78_effpot/m_polynomial_coeff.F90 changed 9.3% diff
src/78_effpot/m_slc_dynamics.F90 changed 34.5% diff
src/78_effpot/m_slc_potential.F90 changed 2.5% diff
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src/78_effpot/m_spin_mover.F90 changed 1.2% diff
src/78_effpot/m_spin_potential.F90 changed 1.0% diff
src/78_eph/m_eph_double_grid.F90 changed 9.7% diff
src/78_eph/m_ephwg.F90 changed 14.8% diff
src/78_eph/m_gkk.F90 changed 21.3% diff
src/78_eph/m_phgamma.F90 changed 3.6% diff
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS13_DD
B.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS14_EI
G.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS14_GS
R.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS15_DD
B.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS15_EI
GI2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS15_EI
GR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS15_GK
K.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS1_EIG
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS1_GSR
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS2_EIG
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS2_GSR
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS3_EIG
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS3_GSR
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS4_EIG
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS4_GSR
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS5_DDB
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS6_EIG
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS6_GSR
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS7_DDB
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS7_EIG
I2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS7_EIG
R2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS7_GKK
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS8_EIG
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS8_GSR
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2/odat_calc_DS9_DDB
.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2_2/epc_outputs/td_
se_double_grid_EP.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2_2/epc_outputs/td_
se_double_grid_REN.dat
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2_2/epc_outputs/tdb
_dyn_double_grid_EP.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2_2/epc_outputs/tdb
_dyn_double_grid_REN.dat
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2_2/epc_outputs/zp_
se_double_grid_EP.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g2_2/epc_outputs/zp_
se_double_grid_REN.dat
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/Den/calc.out added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/Den/out_data/odat
_EIG.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0001/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0001/DV
SCF/out_data/odat_DDB.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0001/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0001/WF
Q/out_data/odat_EIG.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0002/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0002/DV
SCF/out_data/odat_DDB.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0002/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0002/WF
Q/out_data/odat_EIG.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0003/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0003/DV
SCF/out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0003/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0003/WF
Q/out_data/odat_EIG.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0004/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0004/DV
SCF/out_data/odat_DDB.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0004/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0004/WF
Q/out_data/odat_EIG.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0005/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0005/DV
SCF/out_data/odat_DDB.nc
added
scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0005/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0005/WF
Q/out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0006/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0006/DV
SCF/out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0006/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0006/WF
Q/out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0007/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0007/DV
SCF/out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0007/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0007/WF
Q/out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0008/DV
SCF/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0008/DV
SCF/out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0008/WF
Q/calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/qpt-0008/WF
Q/out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/WFK/calc.ou
t
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/DVSCF/WFK/out_dat
a/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0001/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0001/EPC/
out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0001/EPC/
out_data/odat_EIGR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0001/EPC/
out_data/odat_GKK.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0001/WFQ/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0001/WFQ/
out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0002/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0002/EPC/
out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0002/EPC/
out_data/odat_EIGR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0002/EPC/
out_data/odat_GKK.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0002/WFQ/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0002/WFQ/
out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0003/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0003/EPC/
out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0003/EPC/
out_data/odat_EIGR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0003/EPC/
out_data/odat_GKK.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0003/WFQ/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0003/WFQ/
out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0004/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0004/EPC/
out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0004/EPC/
out_data/odat_EIGR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0004/EPC/
out_data/odat_GKK.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0004/WFQ/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0004/WFQ/
out_data/odat_EIG.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0005/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0005/EPC/
out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0005/EPC/
out_data/odat_EIGR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0005/EPC/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0005/WFQ/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0005/WFQ/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0006/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0006/EPC/
out_data/odat_DDB.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0006/EPC/
out_data/odat_EIGR2D.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0006/EPC/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0006/WFQ/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0006/WFQ/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0007/EPC/
calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0007/EPC/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0007/EPC/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/qpt-0007/EPC/
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calc.out
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/EPC/WFK/out_data/
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/epc_outputs/tdb_d
yn_EP.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/epc_outputs/tdb_d
yn_REN.dat
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/epc_outputs/tdb_s
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/epc_outputs/zpr_d
yn_REN.dat
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tat_mode_EP.nc
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scripts/post_processing/ElectronPhononCoupling/ElectronPhononCoupling/data/LiF_g4/epc_outputs/zpr_s
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