May 2026 Archives by thread

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Starting: Sat May 2 13:34:15 UTC 2026
Ending: Sat May 23 14:50:11 UTC 2026
Messages: 36

• [CP2K-user] [CP2K:22215] Re: SCF convergence issue with GAPW and all electron basis   Nan Dong
  • [CP2K-user] [CP2K:22215] Re: SCF convergence issue with GAPW and all electron basis   Hengyuan Shen
    • [CP2K-user] [CP2K:22227] Re: SCF convergence issue with GAPW and all electron basis   Nan Dong
• [CP2K-user] [CP2K:22217] Forces for Reduced Excitation Space TDDFPT   T deJ
  • [CP2K-user] [CP2K:22217] Forces for Reduced Excitation Space TDDFPT   Jürg Hutter
• [CP2K-user] [CP2K:22218] Re: Converge EPS_SCHWARZ and CUTOFF_RADIUS for hybrid functionals   'Max H' via cp2k
  • [CP2K-user] [CP2K:22220] Re: Converge EPS_SCHWARZ and CUTOFF_RADIUS for hybrid functionals   Frederick Stein
    • [CP2K-user] [CP2K:22227] Re: Converge EPS_SCHWARZ and CUTOFF_RADIUS for hybrid functionals   'Max H' via cp2k
      • [CP2K-user] [CP2K:22229] Re: Converge EPS_SCHWARZ and CUTOFF_RADIUS for hybrid functionals   Frederick Stein
• [CP2K-user] [CP2K:22220] Re: Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Mattia Perrone
  • [CP2K-user] [CP2K:22220] Re: Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Mattia Perrone
    • [CP2K-user] [CP2K:22220] Re: Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Mattia Perrone
• [CP2K-user] [CP2K:22222] Extrapolation formula for RPA and HF energies   Riccardo Pezzetta
• [CP2K-user] [CP2K:22222] Extrapolation formula for basis set convergence   Riccardo Pezzetta
  • [CP2K-user] [CP2K:22223] Re: Extrapolation formula for basis set convergence   Riccardo Pezzetta
    • [CP2K-user] [CP2K:22224] Re: Extrapolation formula for basis set convergence   Frederick Stein
      • [CP2K-user] [CP2K:22225] Re: Extrapolation formula for basis set convergence   Riccardo Pezzetta
• [CP2K-user] [CP2K:22225] Re: ONIOM in CP2K   'daniel Storm' via cp2k
• [CP2K-user] [CP2K:22229] Kondov diabatization + G0W0   Lorenzo Lagasco
• [CP2K-user] [CP2K:22230] Running cp2k within MATLAB on windows .... It is fast!   'ahmed sobhy' via cp2k
• [CP2K-user] [CP2K:22232] Temperature in Ehrenfest Dynamics Simulation   Deepak Ojha
• [CP2K-user] [CP2K:22233] MOMENTS and KPOINTS   pierre.an... at gmail.com
  • [CP2K-user] [CP2K:22233] Re: MOMENTS and KPOINTS   Shridhar Shanbhag
• [CP2K-user] [CP2K:22234] Why is DZVP-MOLOPT-GTH much slower than DZVP-MOLOPT-SR-GTH in CP2K?   Donovan K
  • [CP2K-user] [CP2K:22236] Re: Why is DZVP-MOLOPT-GTH much slower than DZVP-MOLOPT-SR-GTH in CP2K?   Marcella Iannuzzi
    • [CP2K-user] [CP2K:22237] Re: Why is DZVP-MOLOPT-GTH much slower than DZVP-MOLOPT-SR-GTH in CP2K?   Jürg Hutter
• [CP2K-user] [CP2K:22236] CatGo (open-source AI-agent workbench): native CP2K input generation, analysis & post-processing   'Guangsheng Liu' via cp2k
• [CP2K-user] [CP2K:22238] Poor performance of hybrid functional calculation   Lorenzo Lagasco
  • [CP2K-user] [CP2K:22240] Re: Poor performance of hybrid functional calculation   Johann Pototschnig
    • [CP2K-user] [CP2K:22240] Re: Poor performance of hybrid functional calculation   Lorenzo Lagasco
  • [CP2K-user] [CP2K:22241] Poor performance of hybrid functional calculation   Jürg Hutter
    • [CP2K-user] [CP2K:22242] Poor performance of hybrid functional calculation   Lorenzo Lagasco
• [CP2K-user] [CP2K:22244] Calcite crystal RPBE force convergence   'Kit Joll' via cp2k
  • [CP2K-user] [CP2K:22244] Calcite crystal RPBE force convergence   Thomas Kühne
    • [CP2K-user] [CP2K:22246] Calcite crystal RPBE force convergence   'Kit Joll' via cp2k
• [CP2K-user] [CP2K:22246] Re: Regarding improvement of speed calculation HSE06   Lorenzo Lagasco

Last message date: Sat May 23 14:50:11 UTC 2026
Archived on: Sat May 23 14:50:28 UTC 2026

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