mirror of https://gitlab.com/QEF/q-e.git
b3cf6f11a3
verify if my explanations make sense!) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1663 c92efa57-630b-4861-b058-cf58834340f0 |
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| reference | ||
| README | ||
| run_example | ||
README
This example shows how to use fpmd.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.