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Adaptive Coordinate Real-space Electronic Structure code (ACRES)

  Link Details for: Adaptive Coordinate Real-space Electronic Structure code (ACRES)
Link Title: Adaptive Coordinate Real-space Electronic Structure code (ACRES) Open in a new window
Link URL: http://cst-www.nrl.navy.mil/~singh/acres/info.html
Link Details: Density-functional theory (DFT) code designed to perform total energy calculations for atoms, molecules, bulk solids and surfaces on parallel computers such as CM-5, IBM SP2 and ORIGIN 2000. These calculations are performed in real space on a grid that is
Category: Top : Computers : Programming : Languages : Fortran : Source_Code : Physics
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Adaptive Coordinate Real-space Electronic Structure code (ACRES)