features
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features [2015/09/04 07:40] – Add Features page based on description written by Michael Barack for Debian pacakge https://tracker.debian.org/pkg/cp2k rivanvx | features [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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* Gas phase or Periodic boundary conditions (PBC) | * Gas phase or Periodic boundary conditions (PBC) | ||
* Basis sets include various standard Gaussian-Type Orbitals (GTOs), Pseudopotential plane-waves (PW), and a mixed Gaussian and (augmented) plane wave approach (GPW/GAPW) | * Basis sets include various standard Gaussian-Type Orbitals (GTOs), Pseudopotential plane-waves (PW), and a mixed Gaussian and (augmented) plane wave approach (GPW/GAPW) | ||
+ | * PW DFT functionality (energy, forces, stress), including LAPW (all-electron) | ||
* Norm-conserving, | * Norm-conserving, | ||
* Local Density Approximation (LDA) XC functionals including SVWN3, SVWN5, PW92 and PADE | * Local Density Approximation (LDA) XC functionals including SVWN3, SVWN5, PW92 and PADE |
features.1441352419.txt.gz · Last modified: 2020/08/21 10:15 (external edit)