What is the k-resolution for proper graphene modeling with ecutwfc of 80 in quantum espresso? What should
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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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ISBN: 978-0133544619
12th edition
Authors: Jeff Hoffer, Ramesh Venkataraman, Heikki Topi
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