#
# BULK SILICON
#
# Sample output from each run, generated based on PARATEC DFT input, is
# in each directory of the GW/BSE calculations, for comparison.
#
# Enter PARATEC, ESPRESSO, ABINIT or PREBUILT directory.
#
# ESPRESSO: generate k-points (directory 00)
# ESPRESSO: you must manually add the k-points to espresso input files
ESPRESSO: sh ./script_0
ABINIT: sh ./script_0
#
# create symbolic links
#
sh ./script_1
#
# generate charge density (directory 01)
# run nscf calculations (directories 02 to 06)
# This step is not needed in the PREBUILT case.
# The WFNq steps ask for more bands than just the valence. Sometimes, this is necessary to get correct
# results from the diagonalization algorithms. The extra bands will not be used in BerkeleyGW regardless.
#
ESPRESSO/PARATEC/ABINIT: Submit script_2. Suggested ncpu = 24, walltime = 0:30:00
#
# cd ..
#
# generate dielectric matrix (directory 07)
# calculate self-energy corrections (directory 08)
# generate electron-hole interaction kernel (directory 09)
# solve BSE and calculate optical absorption (directory 10)
#
Submit script_3. Suggested ncpu = 48, walltime = 0:30:00
#
The steps in ESPRESSO/07-wannier and 11-sig2wan construct a Wannier-interpolated
bandstructure. This is optional because it requires the Wannier90 code.
Visualize the bandstructures in gnuplot with: load 'silicon_band.gnu'
Also, see Wannier90 1.2 example 11 on which this example is based.
