[Pw_forum] units in QE (thread renamed from k point value)

[Sonu Kumar]

Hi Padmaja,

>Another question is, which unit is followed in QE?
>a.u. (hbar = e^2 = m_e = 1, energy? in Hartree)? or Rydberg unit ( hbar=1, e^2=2, m_e=1/2, energy in rydberg).

QE uses atomic rydberg units, so units of  angular momentum is  h bar,
the unit for mass is 2m_e ,unit for charge is e/sqrt(2), and unit of energy is
rydberg. wheras abinit uses hartree atomic units.

good luck.
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Sonu Kumar
Phd Student,Physics Department
Indian Institute of Technology ,Delhi-110016, India
web:-http://www.iitd.ac.in/
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