# kernel.inp

# specify the number of valence bands (counting down from HOMO)
number_val_bands 3

# conduction bands (counting up from LUMO)
number_cond_bands 3

# screened coulomb cutoff (Ry) - must be specified as non-zero
# ecute in the code
screened_coulomb_cutoff 8.0

# bare coulomb cutoff (Ry) - if not specified set to ecute + max(bdot)
# ecutg in the code
bare_coulomb_cutoff 60.0

# Specify the Fermi level (in eV), if you want implicit doping
# Note that value refers to energies AFTER scissor shift or eqp corrections.
#fermi_level 0.0

# The Fermi level is treated as an absolute value
# or relative to that found from the mean field (default)
#fermi_level_absolute
#fermi_level_relative

# What screening is present? (default = semiconductor)
screening_semiconductor
#screening_metal
#screening_graphene
#  this is for a system with linear DOS at the Fermi level

# RECOMMENDED fast FFTW truncation schemes
# The Coulomb Interaction is cutoff on the edges of
# the Wigner-Seitz Cell in the non-periodic directions
# Periodic directions are a1,a2 for slabs and a3 for wires

#cell_box_truncation
#cell_wire_truncation
#cell_slab_truncation

# Analytic, but non Wigner-Seitz cell, truncation

#spherical_truncation

# For Spherical Truncation, radius in Bohr
#coulomb_truncation_radius   10.00

# Flag for coarse grid of k-points in the BZ.
# Should we unfold using symmetries? either
# no_symmetries_coarse_grid (default) or
# use_symmetries_coarse_grid. If you calculated
# epsmat on a reduced q grid, you should use
# symmetries here!
#use_symmetries_coarse_grid
no_symmetries_coarse_grid

# Write the bare Coulomb potential V(q+G) to file
#write_vcoul

# Communication through MPI or DISK
# comm_mpi is usually much faster and preferable but if you have only
# a few CPUs you might not have enough memory to hold wavefunctions
# comm_disk results in temporary INT_* files being created and it
# may be faster for a small unit cell and a lot of k-points
# The default is comm_mpi
# *** CURRENTLY, comm_disk IS ONLY IMPLEMENTED FOR eps0mat/epsmat ***
comm_mpi
#comm_disk

# Low communication
# The default behavior of the code is to distribute the dielectric matrix 
# among the processors. While this minimizes memory usage, it also
# increases the communication. By using the low_comm flag, each processor
# will store the whole dielectric matrix. It is advisable to use this flag
# whenever each PE has enough memory to hold the whole epsmat file.
#low_comm

# Low Memory option
# Calculate matrix elements separately for each k,c,v,k',c',v' pair
#low_memory

# Use traditional simple binary format for bsedmat/bsexmat instead of HDF5 file format.
# Relevant only if code is compiled with HDF5 support.
#dont_use_hdf5

# EXPERIMENTAL FEATURES FOR TESTING PURPOSES ONLY
# High Memory option
# Save all wavefunction FFTs when calculating the BSE kernel.
# Overwrites the low_memory option.
#high_memory

# 'unfolded BZ' is from the kpoints in the WFN file
# 'full BZ' is generated from the kgrid parameters in the WFN file
# See comments in Common/checkbz.f90 for more details
# Replace unfolded BZ with full BZ
#fullbz_replace
# Write unfolded BZ and full BZ to files
#fullbz_write

# Rotation of the k-points may bring G-vectors outside of the sphere.
# Use the following keywords to specify whether to die if some of
# the G-vectors fall outside of the sphere. The default is to ignore.
# Set to die in case screened_coulomb_cutoff = bare_coulomb_cutoff.
# Set to ignore in case screened_coulomb_cutoff < bare_coulomb_cutoff.
#die_outside_sphere
#ignore_outside_sphere

# Flag to read k-points from the 'kpoints' file.
# The default is to read k-points from the wfn file.
#read_kpoints

