February 2026 Archives by thread

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Starting: Mon Feb 2 09:12:36 UTC 2026
Ending: Tue Feb 10 14:14:11 UTC 2026
Messages: 25

• [CP2K-user] [CP2K:22073] r2SCAN CUTOFF convergence   Jürg Hutter
• [CP2K-user] [CP2K:22074] DFTB3 D3(BJ) GAMMA   Jürg Hutter
  • [CP2K-user] [CP2K:22078] DFTB3 D3(BJ) GAMMA   Dobromir A Kalchevski
    • [CP2K-user] [CP2K:22078] DFTB3 D3(BJ) GAMMA   Jürg Hutter
      • [CP2K-user] [CP2K:22082] DFTB3 D3(BJ) GAMMA   Dobromir A Kalchevski
• [CP2K-user] [CP2K:22076] Suggestions for Improving SCF Convergence in CP2K‘s Diagonalization and K-Point Calculations   yis... at 163.com
• [CP2K-user] [CP2K:22077] DFTD3 scaling - possible bug   Bram Van der Linden
  • [CP2K-user] [CP2K:22079] DFTD3 scaling - possible bug   Jürg Hutter
    • [CP2K-user] [CP2K:22081] DFTD3 scaling - possible bug   Bram Van der Linden
• [CP2K-user] [CP2K:22083] Rotational modes of methanol have high frequencies (> 550 cm-1), and they do not look like rotations   Torstein Fjermestad
• [CP2K-user] [CP2K:22084] Energy calculation for charged system LSD/UKS ?   Andreas Döll
  • [CP2K-user] [CP2K:22089] Re: Energy calculation for charged system LSD/UKS ?   Andreas Döll
• [CP2K-user] [CP2K:22085] Geometric optimization vs L-BFGS criteria   Andreas Döll
  • [CP2K-user] [CP2K:22085] Geometric optimization vs L-BFGS criteria   Krack, Matthias
    • [CP2K-user] [CP2K:22088] Geometric optimization vs L-BFGS criteria   Andreas Döll
• [CP2K-user] [CP2K:22086] NPT MD   yw zhang
• [CP2K-user] [CP2K:22090] k-point symmetry/reduction   Léon Luntadila Lufungula
  • [CP2K-user] [CP2K:22093] Re: k-point symmetry/reduction   Frederick Stein
• [CP2K-user] [CP2K:22090] GPU vs CPU performance on consumer workstation   rafa... at gmail.com
  • [CP2K-user] [CP2K:22092] Re: GPU vs CPU performance on consumer workstation   Frederick Stein
• [CP2K-user] [CP2K:22094] Confusion about the D4 parameters   Torstein Fjermestad
  • [CP2K-user] [CP2K:22098] Re: Confusion about the D4 parameters   Johann Pototschnig
• [CP2K-user] [CP2K:22095] PBE exchange functional used for the ADMM correction   Torstein Fjermestad
  • [CP2K-user] [CP2K:22096] Re: PBE exchange functional used for the ADMM correction   Frederick Stein
• [CP2K-user] [CP2K:22097] How to Maintain Structural Consistency When Switching from Diagonalization to OT Algorithm in CP2K?   yis... at 163.com

Last message date: Tue Feb 10 14:14:11 UTC 2026
Archived on: Tue Feb 10 14:14:16 UTC 2026

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