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