RMGDFT Files

# BULK SILICON - 8 Si atoms Cubic Cell
#
# Enter RMG directory.
#
# RMG: generate k-points (directory 00)
# RMG: you must manually add the k-points to RMG input files
RMG: sh ./script_0
#
# create symbolic links
#
sh ./script_1
#
# generate charge density (directory 01)
# run nscf calculations (directories 02 to 06)
#
RMG: 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
#