Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/GWW
Name Last modified Size Description
Parent Directory 03-Mar-2017 02:09 -
example01/ 03-Mar-2017 01:46 -
example02/ 03-Mar-2017 01:46 -
example03/ 03-Mar-2017 01:46 -
to run examples do
./run_example
from the following directories:
example01 computes the GW quasi-particle energies in CH4 (Methene molecule)
example02 computes the GW quasi-particle energies in bulk Si (how to treat extended system)
Note: in order to accelerate this example, used as a daily distribution test,
it is using parameters (a small 8-atom simulation cell whose Brillouin's zone
is sample onlt at the Gamma point) giving quite unconverged results
example03 uses projwfc to plot GW DOS of CH4, example01 must be run before.