Parallel Total Energy (PEtot) - Parallel plane wave pseudopotential program for atomistic total energy calculation based on density functional theory.


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Category: Main » Computers » Programming » Languages » Fortran	UPDATE URL \| REPORT BROKEN LINK
Parallel Total Energy (PEtot)	Popularity: Hit: 20

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	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 developed under U.S. Department of Energy fundings and it is a freely distributed public source code. Sponsored Links:
URL:	http://crd.lbl.gov/~linwang/PEtot/PEtot.html
Title:	PEtot home page, planewave pseudopotential, LDA, DFT, densityfunctional theory, electronic structure calculations
Description:	Computers, Programming, Languages, Fortran - Parallel Total Energy (PEtot). Parallel plane wave pseudopotential program for atomistic total energy calculation based on density functional theory.
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