Set of input templates and shell scripts to run an electronic bandstructure calculation with Quantum ESPRESSO and BerkeleyGW from scratch
You'll need:
compiled Quantum EPRESSO's pw.x executable
compiled BerkeleyGW's executables: epsilon, sigma and inteqp
Brief explanation on how to run:
Start with populating
./input_templates/*
if you don't understand what's inside the *.inp files in this directory, please look into the corresponding input file description:
For ESPRESSO:
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html
For Berkeley GW (as of Oct 24, 2013:)
<BerkeleyGW source directory>/Epsilon/epsilon.inp
<BerkeleyGW source directory>/Sigma/sigma.inp
<BerkeleyGW source directory>/BSE/absorption.inp
then run
./create_directories.sh
./create_input.sh
./create_links.sh
./create_input_sigma.sh
then submit calculation (edit the "./job" file modifying the input file paths and flags putting 'true-false' control flags)
qsub ./job