Repository for the BaTiO3 Project for course of Computational Methods of Molecular Quantum Mechanics by prof. Sara Bonella in the semester 2017-20.
The documentation is here. These are the clusters available at EPFL:
- bellatrix.epfl.ch
- castor.epfl.ch
- deneb1.epfl.ch
- deneb2.epfl.ch
- fidis.epfl.ch
Log to a cluster using your GASPAR username and password as follows:
ssh -Y <myusername>@<mypreferedcluster>.epfl.ch- Length: a_0 (Bohr) = 5.2917721092 × 10−11 m
- Energy: E_h (Hartree) = 4.35974417 × 10−18 J
- Time: 1 a.u. = 2.418884326505 × 10−17 s
- Temperature: 1 a.u. = 3.1577464 × 105 K
- Electric Dipole: 1 a.u. = 8.47835326 × 10−30 C·m