Matter Modeling Beta
Anibal Bezerra
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24 Quantum ESPRESSO vs VASP May 13 '20
20 What is the importance of electron interaction on dielectric response of crystals? May 11 '20
19 Norm-Conserving or Ultrasoft, which pseudopotential to choose? May 18 '20
17 Why is the band structure of a supercell more dense than for simple cell? May 16 '20
16 Job scheduler alternatives May 18 '20
16 Is it necessary to optimize structures obtained from a cif file? May 11 '20
14 What is nscf calculation in Quantum ESPRESSO? Oct 26 '20
13 How can quantum computing accelerate materials modeling? May 13 '20
12 Is there a (free) GUI to setup transport calculations using SIESTA? May 13 '20
12 Is there a repository for DFT pre/postprocessing scripts? May 16 '20
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