Dear Experts, I'm new to Quantum Espresso. As a starter, I have got few questions while performing simulations.
(1) In what range the wavefunction cutoff range for Ultrasoft, normconserving and PAW pseudopotentials lies? I read on google that, for ultrasoft pseudopotentials the wavefunction cutoff ranges from 20-50 Ry, while for norm-conserving pseudopotentials it is from 60-100 Ry. Is it correct ?. or the norm-conserving pseudopotentials can also have range starting from 20-100 Ry ?. (2) I am simulating defects in graphene. Which pseudopotential should I prefer for graphene, Ultrasoft or Norm-conserving or PAW ? I am really thankful for your valuable time and knowledge. Thank you. Sincerely, B. S. Bhushan, CNT Laboratory, ABV - Indian Institute of Information Technology and Management, Gwalior, India.
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