[Pw_forum] cartesian (angstrom) to alat units
sirok4 at gmail.com
Thu Oct 25 20:54:24 CEST 2012
Dear Espresso fans,
I would like to make a series of calculations in different lattice parameter
If I understand correctly, the atomic positions should be in units of the
lattice parameter "a" (default) in order for them to stay the same for every
So, I assume each Cartesian coordinate in Ang should be a fraction of
lattice parameter: X/a
But, does the lattice parameter should be in bohr (like in celldm(1)) or in
Ang as well ?
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