Question
What is the k-resolution for proper graphene modeling with ecutwfc of 80 in quantum espresso? What should the the size of the supercell that could
What is the k-resolution for proper graphene modeling with ecutwfc of 80 in quantum espresso? What should the the size of the supercell that could be modelled with Gamma-only with this resolution?
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actually that depends on what your final reference state is if it is free atoms in a vapor this corresponds to the heat of vaporization usually called the cohesive energy you must calculate the spinpo...
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Modern Database Management
Authors: Jeff Hoffer, Ramesh Venkataraman, Heikki Topi
12th edition
133544613, 978-0133544619
