Practical quantum Monte Carlo calculations: QWalk - PowerPoint Presentation

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Uploaded On 2017-11-01

Practical quantum Monte Carlo calculations: QWalk - PPT Presentation

Lucas Wagner Used by gt100 people Open source http wwwqwalkorg Solids liquid gas phase Scales to gt20000 processor cores Distributed development Simple separable architecture Cohesive energy ID: 601664

energy dft qwalk pseudopotentials dft energy pseudopotentials qwalk fock function body wave hartree run good basis qmc jastrow potentials

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