Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/CPV/example04
Name Last modified Size Description
Parent Directory 03-Mar-2017 02:09 -
reference/ 03-Mar-2017 01:46 -
run_example 03-Mar-2017 01:46 144k
This example shows how to use cp.x to perform molecular dynamics
simulation of medium to large systems.
This example consists in calculations with 32, 64, 128, 256 water
molecules and takes a long time to execute. To run a calculation
with up to N molecules, use:
./run_example N
Note that "./run_example" alone does nothing.