March 2026 Archives by thread

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Starting: Sun Mar 1 14:53:15 UTC 2026
Ending: Tue Mar 31 14:32:07 UTC 2026
Messages: 24

• [CP2K-user] [CP2K:22127] Re: The KERKER mixing method may be more suitable than the BROYDEN mixing method for calculations involving magnetic systems.   yis... at 163.com
• [CP2K-user] [CP2K:22128] Re: CP2K constrained MD: O–H coordination number constraint does not prevent OH bond breaking   Qi Zhang
• [CP2K-user] [CP2K:22128] Ce clusters convergence issue   L Heidarizadeh
• [CP2K-user] [CP2K:22129] cp2k installation help on CentOS 7   chinmay
  • [CP2K-user] [CP2K:22131] Re: cp2k installation help on CentOS 7   Johann Pototschnig
• [CP2K-user] [CP2K:22131] Quickstep to the Future, 25 Years of CP2K   Michelle Ernst
• [CP2K-user] [CP2K:22132] spin orbit coupling calculation in cp2k   Ning Lyu
• [CP2K-user] [CP2K:22133] Unable to print virtual MO energies   Xing Zhang
  • [CP2K-user] [CP2K:22134] Re: Unable to print virtual MO energies   Xing Zhang
• [CP2K-user] [CP2K:22134] Unable to use CP2k-2025.2 with PLUMED (2.9.3, LOCAL_Q6 CV)   liu wei
• [CP2K-user] [CP2K:22135] Question about xTB/DFT-MD and QM/MM in CP2K   Hasan Tunçer
  • [CP2K-user] [CP2K:22138] Question about xTB/DFT-MD and QM/MM in CP2K   Jürg Hutter
• [CP2K-user] [CP2K:22136] Unable to create libcp2k.a and link cp2k 2026.1 to gromacs 2026   Matteo Orlandi
• [CP2K-user] [CP2K:22136] Unable to obtain libcp2k.a   Matteo Orlandi
• [CP2K-user] [CP2K:22137] Seeking larger basis sets (e.g., TZVP) with broad element coverage similar to DZVP-MOLOPT-SR-GTH   yj jiang
  • [CP2K-user] [CP2K:22139] Seeking larger basis sets (e.g., TZVP) with broad element coverage similar to DZVP-MOLOPT-SR-GTH   Jürg Hutter
• [CP2K-user] [CP2K:22140] CUTOFF_RADIUS Keyword not working incase of HSE06 Functional   Soumyadeep Mukherjee
  • [CP2K-user] [CP2K:22142] Re: CUTOFF_RADIUS Keyword not working incase of HSE06 Functional   Frederick Stein
    • [CP2K-user] [CP2K:22142] Re: CUTOFF_RADIUS Keyword not working incase of HSE06 Functional   Soumyadeep Mukherjee
• [CP2K-user] [CP2K:22143] Re: CP2K version 2026.1 released   André Marques
  • [CP2K-user] [CP2K:22145] Re: CP2K version 2026.1 released   Frederick Stein
• [CP2K-user] [CP2K:22145] Mismatch Improper Energy between LAMMPS and CP2K   Trevor Gayer
• [CP2K-user] [CP2K:22146] DFTD4 problem 2026.1 version   Hehe
  • [CP2K-user] [CP2K:22148] Re: DFTD4 problem 2026.1 version   Johann Pototschnig

Last message date: Tue Mar 31 14:32:07 UTC 2026
Archived on: Thu Apr 2 15:07:46 UTC 2026

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