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Equilibrium structural parameters using Quantum ESPRESSO Thai version

Equilibrium structural parameters using Quantum ESPRESSO Thai versionУ вашего броузера проблема в совместимости с HTML5
Sorry for bad clip. Calculation equilibrium structural parameters 1. calculation 'scf' by vary the lattice parameters 2. create inputfile for ev.x column one is lattice or volume column two is total energy It can check by gnuplot. 3. use the ev.x in espresso/bin for evaluate equilibrium structural parameters 4. enjoy!
Теги: Quantum ESPRESSO

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