mirror of https://gitlab.com/QEF/q-e.git
41c665b82b
execute cp.x with fpmd flavour - stress for LSD calculation fixed ( but more test required ) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2190 c92efa57-630b-4861-b058-cf58834340f0 |
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reference | ||
README | ||
run_example |
README
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.