Dear Francois,
Is the default etotal and etotal_int in the utput file in Ry while the default forces in Ha/Bohr ? Thanks.
Units of output energy and force
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fgygi
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Re: Units of output energy and force
The energies in the output are in Hartree (i.e. <etotal> <etotal_int> <ekin> <ecoul> etc..).
The ionic forces are in Hartree/Bohr.
The eigenvalues (i.e. within <eigenvalues> .. </eigenvalues>) are in electron-volt.
The ionic forces are in Hartree/Bohr.
The eigenvalues (i.e. within <eigenvalues> .. </eigenvalues>) are in electron-volt.