Sunday, May 2, 2010


Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft)
  1. Installing the Quantum-Espresso distribution
  2. Parallelization Issues with MKL
  3. Installing Espresso with OpenMPI

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