Compiling Quantum Espresso

1. Change to the external_codes/ directory:

cd external_codes

2. Run the example build script, build_QE_5.4.sh, that helps build the Quantum Espresso package:

./build_QE_5.4.sh

Notes:

• The script assumes working C and Fortran compilers with MPI enabled, i.e., mpicc, mpif77, and mpif90. If the compilers are different, change the compilers in the ./configure ... line in the script accordingly. This line calls Quantum Espresso's configure script to configure the build system.
• Some useful links:
  
  • Configuring Quantum Espresso
    
  • Input file descriptions