Units used in QMCPACKΒΆ
Internally, QMCPACK uses atomic units throughout. Unless stated, all inputs and outputs are also in atomic units. For convenience the analysis tools offer conversions to eV, Ry, Angstrom, Bohr, etc.
Internally, QMCPACK uses atomic units throughout. Unless stated, all inputs and outputs are also in atomic units. For convenience the analysis tools offer conversions to eV, Ry, Angstrom, Bohr, etc.