May 2026 Archives by date

• Messages sorted by: [ thread ] [ subject ] [ author ]
• More info on this list...

Starting: Sat May 2 13:34:15 UTC 2026
Ending: Fri May 29 14:20:33 UTC 2026
Messages: 49

• [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: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: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:22227] Re: SCF convergence issue with GAPW and all electron basis   Nan Dong
• [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: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] CatGo (open-source AI-agent workbench): native CP2K input generation, analysis & post-processing   'Guangsheng Liu' via cp2k
• [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: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
• [CP2K-user] [CP2K:22247] convergence issues for hybrid functional calculations (PDOS + PDOS computation)   Lorenzo Lagasco
• [CP2K-user] [CP2K:22248] DFT+U in CP2K 2024.3   Sachin Ramesh
• [CP2K-user] [CP2K:22249] DFT+U in CP2K 2024.3   Krack, Matthias
• [CP2K-user] [CP2K:22251] Calcite crystal RPBE force convergence   'Kit Joll' via cp2k
• [CP2K-user] [CP2K:22251] Calcite crystal RPBE force convergence   Thomas Kühne
• [CP2K-user] [CP2K:22253] Calcite crystal RPBE force convergence   'Kit Joll' via cp2k
• [CP2K-user] [CP2K:22254] How to fix NaN error and numerical derivative warning (0.100000E+31) in wtMetaD?   Qi Zhang
• [CP2K-user] [CP2K:22254] 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:22255] Calcite crystal RPBE force convergence   Thomas Kühne
• [CP2K-user] [CP2K:22256] Difficulty converging all electron magnetic system   Craig Schwartz
• [CP2K-user] [CP2K:22258] Calcite crystal RPBE force convergence   'Kit Joll' via cp2k
• [CP2K-user] [CP2K:22258] [charged calculations on metal oxides]   Miguel RP
• [CP2K-user] [CP2K:22260] Spin Orbit Coupling With Hybrid XC (PBC)   oandr... at gmail.com

Last message date: Fri May 29 14:20:33 UTC 2026
Archived on: Fri May 29 14:20:39 UTC 2026

• Messages sorted by: [ thread ] [ subject ] [ author ]
• More info on this list...