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quickstep [2014/11/15 16:43]
oschuett
quickstep [2020/05/22 19:22] (current)
tkuehne [References]
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 ===== References ===== ===== References =====
 +  * CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,​ T. D. Kühne et al. [[https://​doi.org/​10.1063/​5.0007045 | J. Chem. Phys. 152, 194103 (2020)]]
  
   * Quickstep: fast and accurate density functional calculations using a mixed Gaussian and plane waves approach, J. VandeVondele,​ M. Krack, F. Mohamed, M. Parrinello, T. Chassaing and J. Hutter, [[doi>​10.1016/​j.cpc.2004.12.014| Comp. Phys. Comm. 167, 103 (2005)]].   * Quickstep: fast and accurate density functional calculations using a mixed Gaussian and plane waves approach, J. VandeVondele,​ M. Krack, F. Mohamed, M. Parrinello, T. Chassaing and J. Hutter, [[doi>​10.1016/​j.cpc.2004.12.014| Comp. Phys. Comm. 167, 103 (2005)]].
  
-  * Quickstep: Make the atoms dance, M. Krack and M. Parrinello, [[http://webarchiv.fz-juelich.de/​nic-series/volume25/volume25.html| Forschungszentrum Jülich, NIC Series, Vol. 25, 29 (2004)]].+  * Quickstep: Make the atoms dance, M. Krack and M. Parrinello, [[https://juser.fz-juelich.de/​record/​41817/files/NIC210438.pdf| Forschungszentrum Jülich, NIC Series, Vol. 25, 29 (2004)]].
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   * An efficient orbital transformation method for electronic structure calculations,​ J. VandeVondele and J. Hutter, [[doi>​10.1063/​1.1543154| J. Chem. Phys. 118, 4365 (2003)]].   * An efficient orbital transformation method for electronic structure calculations,​ J. VandeVondele and J. Hutter, [[doi>​10.1063/​1.1543154| J. Chem. Phys. 118, 4365 (2003)]].
quickstep.1416069821.txt.gz · Last modified: 2014/11/15 16:43 by oschuett