# Gallium Arsenide, valence bands
[testw90_example01]
program = WANNIER90_WOUT_OK
inputs_args = ('gaas.win', '')
output = gaas.wout

# Lead, 4 lowest states; Fermi surface
[testw90_example02]
program = WANNIER90_WOUT_OK
inputs_args = ('lead.win', '')
output = lead.wout

# Lead, 4 lowest states - test the restart feature
[testw90_example02_restart]
program = WANNIER90_WOUT_OK
inputs_args = ('lead.win', '')
output = lead.wout

# Silicon, 4 valence bands + 4 conduction bands; interpolated bandstructure
[testw90_example03]
program = WANNIER90_WOUT_OK
inputs_args = ('silicon.win', '')
output = silicon.wout

# Silicon, 4 valence bands + 4 conduction bands; interpolated bandstructure, checking the labelinfo.dat file
[testw90_example03_labelinfo]
program = WANNIER90_LABELINFO
inputs_args = ('silicon.win', '')
output = silicon_band.labelinfo.dat

# Copper, states around the Fermi level; Fermi surface
[testw90_example04]
program = WANNIER90_WOUT_OK
inputs_args = ('copper.win', '')
output = copper.wout

# Diamond, valence states - test of the W90 part
[testw90_example05]
program = WANNIER90_WOUT_OK
inputs_args = ('diamond.win', '')
output = diamond.wout

# Silane, valence states, Gamma only
[testw90_example07/]
program = WANNIER90_WOUT_OK
inputs_args = ('silane.win', '')
output = silane.wout
# This is a gamma-only test, can only run in serial
max_nprocs = 0

# Silane, valence states, Gamma only
[testw90_na_chain_gamma/]
program = WANNIER90_WOUT_OK
inputs_args = ('Na_chain.win', '')
output = Na_chain.wout
# This is a gamma-only test, can only run in serial
max_nprocs = 0

# Silicon, valence states
[testw90_example11_1/]
program = WANNIER90_WOUT_OK
inputs_args = ('silicon.win', '')
output = silicon.wout

# Silicon, valence and conduction states
[testw90_example11_2/]
program = WANNIER90_WOUT_OK
inputs_args = ('silicon.win', '')
output = silicon.wout

# Test for the nnkpt file
[testw90_nnkpt1/]
program = WANNIER90_NNKP_OK
inputs_args = ('wannier.win', '-pp')
output = wannier.nnkp

# Test for the nnkpt file
[testw90_nnkpt2/]
program = WANNIER90_NNKP_OK
inputs_args = ('wannier.win', '-pp')
output = wannier.nnkp

# Test for the nnkpt file
[testw90_nnkpt3/]
program = WANNIER90_NNKP_OK
inputs_args = ('wannier.win', '-pp')
output = wannier.nnkp

# Testing crash with respect to nnkpt option
[testw90_nnkpt4/]
program = WANNIER90_WERR_FAIL
inputs_args = ('wannier.win', '-pp')
output = wannier.werr

# Testing crash when nnkpt is set in non postproc_setup mode
[testw90_nnkpt5/]
program = WANNIER90_WERR_FAIL
inputs_args = ('wannier.win', '')
output = wannier.werr

# Testing symmetry-adapted WFs, from example21, case of As with s and p
[testw90_example21_As_sp]
program = WANNIER90_WOUT_OK
inputs_args = ('GaAs.win', '')
output = GaAs.wout

# Basic wannier
[testw90_basic1/]
program = WANNIER90_WOUT_OK
inputs_args = ('wannier.win', '')
output = wannier.wout

# Basic wannier disentanglement
[testw90_basic2/]
program = WANNIER90_WOUT_OK
inputs_args = ('wannier.win', '')
output = wannier.wout

# Testing preconditioner
[testw90_precond_1]
program = WANNIER90_WOUT_OK
inputs_args = ('gaas1.win', '')
output = gaas1.wout

# Testing preconditioner
[testw90_precond_2]
program = WANNIER90_WOUT_OK
inputs_args = ('gaas2.win', '')
output = gaas2.wout

[testw90_write_u_matrices]
program = WANNIER90_UMAT
inputs_args = ('gaas.win', '')
output = gaas_u.mat

# Benzene, valence and conduction
[testw90_benzene_gamma_valcond/]
program = WANNIER90_WOUT_OK
inputs_args = ('benzene.win', '')
output = benzene.wout
# This is a gamma-only test, can only run in serial
max_nprocs = 0

# Benzene, valence bands
[testw90_benzene_gamma_val/]
program = WANNIER90_WOUT_OK
inputs_args = ('benzene.win', '')
output = benzene.wout
# This is a gamma-only test, can only run in serial
max_nprocs = 0

# Benzene, valence bands - in hexagonal cell
[testw90_benzene_gamma_val_hexcell/]
program = WANNIER90_WOUT_OK
inputs_args = ('benzene.win', '')
output = benzene.wout
# This is a gamma-only test, can only run in serial
max_nprocs = 0

# Test of disentanglement in spheres in k-space
[testw90_lavo3_dissphere/]
program = WANNIER90_WOUT_OK
inputs_args = ('LaVO3.win', '')
output = LaVO3.wout

# Lead, 4 lowest states; Fermi surface, print bvec
[testw90_bvec]
program = WANNIER90_BVEC
inputs_args = ('lead.win', '')
output = lead.bvec

# GaAs - this test verifies that the bug introduced
# with the parallel version of W90 is fixed (see issue #192)
[testw90_gaas_disentanglement_issue192]
program = WANNIER90_WOUT_OK
inputs_args = ('gaas.win', '')
output = gaas.wout

# GaAs - this verifies the plotting routine for
# Gaussian cube format
[testw90_cube_format]
program = WANNIER90_CUBE
inputs_args = ('gaas.win', '')
output = gaas_00001.cube

# Test of disentanglement in spheres in k-space
[testpostw90_si_geninterp/]
program = POSTW90_GENINTERPDAT_OK
inputs_args = ('silicon.win', '')
output = silicon_geninterp.dat

# Test of disentanglement in spheres in k-space
[testpostw90_si_geninterp_wsdistance/]
program = POSTW90_GENINTERPDAT_OK
inputs_args = ('silicon.win', '')
output = silicon_geninterp.dat

# Test of the electrical conductivity in BoltzWann
[testpostw90_boltzwann/]
program = POSTW90_BOLTZWANN_ELCOND_OK
inputs_args = ('silicon.win', '')
output = silicon_elcond.dat

# Test of AHC for bcc iron 
[testpostw90_fe_ahc/]
program = POSTW90_WPOUT_OK
inputs_args = ('Fe.win', '')
output = Fe.wpout 

# Test of AHC for bcc iron with adaptive mesh refinement and Fermi scan
[testpostw90_fe_ahc_adaptandfermi/]
program = POSTW90_FERMISCAN_OK
inputs_args = ('Fe.win', '')
output = Fe-ahc-fermiscan.dat 

# Test of Orbital Magnetisation for bcc iron
[testpostw90_fe_morb/]
program = POSTW90_WPOUT_OK
inputs_args = ('Fe.win', '')
output = Fe.wpout

# Test of AHC plus Orbital Magnetisation for bcc iron
[testpostw90_fe_morbandahc/]
program = POSTW90_WPOUT_OK
inputs_args = ('Fe.win', '')
output = Fe.wpout

# Test of KPATH Berry Curvature plus Orbital Magnetisation for bcc iron
[testpostw90_fe_kpathmorbcurv/]
program = POSTW90_MORBDAT_OK
inputs_args = ('Fe.win', '')
output = Fe-morb.dat

# Test of KPATH Berry Curvature  for bcc iron
[testpostw90_fe_kpathcurv/]
program = POSTW90_CURVDAT_OK
inputs_args = ('Fe.win', '')
output = Fe-curv.dat

# Test of KSLICE Berry Curvature  for bcc iron
[testpostw90_fe_kslicecurv/]
program = POSTW90_CURVDAT_OK
inputs_args = ('Fe.win', '')
output = Fe-kslice-curv.dat

# Test of KSLICE Morb  for bcc iron
[testpostw90_fe_kslicemorb/]
program = POSTW90_MORBDAT_OK
inputs_args = ('Fe.win', '')
output = Fe-kslice-morb.dat

# Test of Kubo JDOS  for bcc iron
[testpostw90_fe_kubo_jdos/]
program = POSTW90_JDOS_OK
inputs_args = ('Fe.win', '')
output = Fe-jdos.dat

# Test of Kubo Axy  for bcc iron
[testpostw90_fe_kubo_Axy/]
program = POSTW90_KUBO_OK
inputs_args = ('Fe.win', '')
output = Fe-kubo_A_xy.dat

# Test of Kubo Szz  for bcc iron
[testpostw90_fe_kubo_Szz/]
program = POSTW90_KUBO_OK
inputs_args = ('Fe.win', '')
output = Fe-kubo_S_zz.dat


# Test of spin  for bcc iron
[testpostw90_fe_spin/]
program = POSTW90_WPOUT_OK
inputs_args = ('Fe.win', '')
output = Fe.wpout

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic/]
program = POSTW90_GYRO_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-C.dat 

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic_C/]
program = POSTW90_GYRO_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-C.dat

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic_D0/]
program = POSTW90_GYRO_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-D.dat

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic_Dw/]
program = POSTW90_GYRO_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-tildeD.dat

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic_K/]
program = POSTW90_GYRO_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-K_orb.dat

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic_NOA/]
program = POSTW90_GYRO_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-NOA_orb.dat

# testpostw90_te_gyrotropic
[testpostw90_te_gyrotropic_dos/]
program = POSTW90_DOS_OK
inputs_args = ('Te.win', '')
output = Te-gyrotropic-DOS.dat

# Silicon, 4 valence bands + 4 conduction bands - opt=0
[testw90_example03_optmem]
program = WANNIER90_WOUT_OK
inputs_args = ('silicon.win', '')
output = silicon.wout

# Test of DOS for Cu 
[testpostw90_example04_dos/]
program = POSTW90_DOS_OK
inputs_args = ('copper.win', '')
output = copper-dos.dat 

# Test of PDOS for Cu
[testpostw90_example04_pdos/]
program = POSTW90_DOS_OK
inputs_args = ('copper.win', '')
output = copper-dos.dat

# Test of shift current for GaAs
[testpostw90_gaas_sc_xyz/]
program = POSTW90_SC_OK
inputs_args = ('gaas.win', '')
output = gaas-sc_xyz.dat

# Test of selective localization and constrained centres
[testw90_example26]
program = WANNIER90_SLWFC_WOUT_OK
inputs_args = ('gaas.win', '')
output = gaas.wout

# Test of SHC for fcc platinum
[testpostw90_pt_shc/]
program = POSTW90_SHCFERMIDAT_OK
inputs_args = ('Pt.win', '')
output = Pt-shc-fermiscan.dat 

# Test of ac SHC for GaAs
[testpostw90_gaas_shc/]
program = POSTW90_SHCFREQDAT_OK
inputs_args = ('GaAs.win', '')
output = GaAs-shc-freqscan.dat

# Test of kpath with SHC as color for fcc platinum
[testpostw90_pt_kpathbandsshc/]
program = POSTW90_SHCKPATHBANDSDAT_OK
inputs_args = ('Pt.win', '')
output = Pt-bands.dat 

# Test of kpath SHC for fcc platinum
[testpostw90_pt_kpathshc/]
program = POSTW90_SHCKPATHDAT_OK
inputs_args = ('Pt.win', '')
output = Pt-shc.dat

# Test of kslice SHC for fcc platinum
[testpostw90_pt_ksliceshc/]
program = POSTW90_SHCKSLICEDAT_OK
inputs_args = ('Pt.win', '')
output = Pt-kslice-shc.dat

# Test of symmetry adapted WFs with disentnanglement
[testw90_disentanglement_sawfs]
program = WANNIER90_DISENTANGLEMENT_SAWFS
inputs_args = ('H3S.win', '')
output = H3S.wout

[categories]
wannier_only = testw90_*
postw90_only = testpostw90_*
all = wannier_only postw90_only
default =  all
