June 2026 Archives by subject

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Starting: Mon Jun 1 07:03:41 UTC 2026
Ending: Tue Jun 30 01:01:05 UTC 2026
Messages: 41

• [CP2K-user] [CP2K:22260] The calculated XAFS spectrum for the Fe-N4 structure with an added axial ligand shows an intense peak at ~6999 eV   Eason Jane
• [CP2K-user] [CP2K:22262] Axial ligand-related issues in XAFS calculations   Eason Jane
• [CP2K-user] [CP2K:22262] Modelagem molecular com zeólitas   Thiago Vieira Paulo
• [CP2K-user] [CP2K:22264] Re: Axial ligand-related issues in XAFS calculations   Marcella Iannuzzi
• [CP2K-user] [CP2K:22265] Re: Axial ligand-related issues in XAFS calculations   Eason Jane
• [CP2K-user] [CP2K:22266] Re: Axial ligand-related issues in XAFS calculations   Marcella Iannuzzi
• [CP2K-user] [CP2K:22267] Spin polarized calculation with xTB   Dmitry Ryndyk
• [CP2K-user] [CP2K:22267] Spin polarized calculation with xTB   Jürg Hutter
• [CP2K-user] [CP2K:22268] NEB RESTART.kp files not detected   Alex Espinoza
• [CP2K-user] [CP2K:22269] Spin polarized calculation with xTB   Michael LaCount
• [CP2K-user] [CP2K:22270] Spin polarized calculation with xTB   Thomas Kühne
• [CP2K-user] [CP2K:22272] Re: How to use linear response method to calculate Hubbard U in CP2K   'Cao Yang' via cp2k
• [CP2K-user] [CP2K:22273] Spin polarized calculation with xTB   Dmitry Ryndyk
• [CP2K-user] [CP2K:22274] Re: Axial ligand-related issues in XAFS calculations   Eason Jane
• [CP2K-user] [CP2K:22275] Re: Axial ligand-related issues in XAFS calculations   Nan Dong
• [CP2K-user] [CP2K:22275] Spin polarized calculation with xTB   Jürg Hutter
• [CP2K-user] [CP2K:22277] Spin polarized calculation with xTB   Dmitry Ryndyk
• [CP2K-user] [CP2K:22278] Spin polarized calculation with xTB   Dmitry Ryndyk
• [CP2K-user] [CP2K:22278] Spin polarized calculation with xTB   Thomas Kühne
• [CP2K-user] [CP2K:22280] Re: Axial ligand-related issues in XAFS calculations   Eason Jane
• [CP2K-user] [CP2K:22281] Re: Axial ligand-related issues in XAFS calculations   Nan Dong
• [CP2K-user] [CP2K:22282] Re: Axial ligand-related issues in XAFS calculations   Eason Jane
• [CP2K-user] [CP2K:22282] Re: Restarting a NEB Simulation   Alex Espinoza
• [CP2K-user] [CP2K:22283] issues regarding PBE0 calculation   Lorenzo Lagasco
• [CP2K-user] [CP2K:22284] International Autumn School CP2K-Newton-X-Libra-WaveMixings for Mixed Classical–Quantum Dynamics   Anna Hehn
• [CP2K-user] [CP2K:22284] International Autumn School on Mixed Quantum–Classical Dynamics, 14–16 October 2026   Anna Hehn
• [CP2K-user] [CP2K:22287] Problem with WAVELET Poisson solver for periodic 2D systems   Riccardo Pezzetta
• [CP2K-user] [CP2K:22287] Problem with WAVELET Poisson solver for periodic 2D systems   xuan Garrett
• [CP2K-user] [CP2K:22289] Problem with WAVELET Poisson solver for periodic 2D systems   Riccardo Pezzetta
• [CP2K-user] [CP2K:22289] System Explodes After Stable Initial Steps   Parveen Rawal
• [CP2K-user] [CP2K:22290] System Explodes After Stable Initial Steps   Stein, Dr. Frederick
• [CP2K-user] [CP2K:22291] System Explodes After Stable Initial Steps   Parveen Rawal
• [CP2K-user] [CP2K:22292] System Explodes After Stable Initial Steps   Stein, Dr. Frederick
• [CP2K-user] [CP2K:22293] System Explodes After Stable Initial Steps   Parveen Rawal
• [CP2K-user] [CP2K:22294] System Explodes After Stable Initial Steps   Stein, Dr. Frederick
• [CP2K-user] [CP2K:22296] How does CP2K define the cell around a molecule?   rashe... at gmail.com
• [CP2K-user] [CP2K:22296] How does CP2K define the cell around a molecule?   Stein, Dr. Frederick
• [CP2K-user] [CP2K:22297] Some thoughts for blue moon method and slow growth in cp2k   xuan Garrett
• [CP2K-user] [CP2K:22299] How does CP2K define the cell around a molecule?   rashe... at gmail.com
• [CP2K-user] [CP2K:22299] How does CP2K define the cell around a molecule?   Stein, Dr. Frederick
• [CP2K-user] [CP2K:22300] Re: On the conceptual meaning of magnetic related directives   Elise Kenny

Last message date: Tue Jun 30 01:01:05 UTC 2026
Archived on: Tue Jun 30 03:57:52 UTC 2026

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