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Parallel Total Energy (PEtot)

  Link Details for: Parallel Total Energy (PEtot)
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Link URL: http://hpcrd.lbl.gov/~linwang/PEtot/PEtot.html
Link Details: Parallel plane wave pseudopotential program for atomistic total energy calculation based on density functional theory. It is designed for large system simulations to be run on large parallel computers like Cray T3E and IBM SP machines at NERSC. It is deve
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Parallel Total Energy (PEtot)