Dear QE users,
To the best of my knowledge, in order to calculate Raman Spectra, one can only use Norm-conserving Perdew-Wang LDA type functional for the calculation in Quantum Espresso. While for materials such as Cu2O, LDA may not be a good choice for its electronic description (PHYSICAL REVIEW B 87, 115111 (2013)). *So how can one justify the use of LDA for Raman calculation for Cu2O with LDA ?* *What is the justification for the use of LDA for Raman Spectra Calculation if the electronic structure of a system is well described by other functional such LDA+U or Hybrid functional ?* -- Best Wishes Masood Yousaf Ulsan National Institute of Science and Technology, Korea
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