Install the Quantum Espresso v7.1 on the AMD EPYC using CMAKE and Intel compilers.
Install the exchange-correlation functional library libXC on the AMD EPYC based supercomputer Snellius using CMAKE and Intel compilers.
GPAW v20 installation on the comet cluster at XSEDE, San Diego, USA
How to wrap atoms back to the unit cell in VMD
Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego, USA
Octopus TDDFT code installation on the XC40 Cray supercomputer in the gnu programming environment
GPAW v20 installation on a standalone machine using Intel compilers
Execute or run jobs one after the other automatically