November 2025 Archives by date

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Starting: Sat Nov 1 17:09:42 UTC 2025
Ending: Tue Nov 11 16:35:26 UTC 2025
Messages: 20

• [CP2K-user] [CP2K:21939] Constrained DFT-MD   Hasan Tunçer
• [CP2K-user] [CP2K:21939] Inquiry about how to set constant in CP2K   HugoWan
• [CP2K-user] [CP2K:21942] Re: Constrained DFT-MD   Marcella Iannuzzi
• [CP2K-user] [CP2K:21942] Re: Real space representation of S and KS matrices with k-points   Fabian Ducry
• [CP2K-user] [CP2K:21944] Re: Real space representation of S and KS matrices with k-points   Dmitry Ryndyk
• [CP2K-user] [CP2K:21944] Structure factors, comparison with independent atom model   Paul B. Klar
• [CP2K-user] [CP2K:21946] GAPW - only soft AO for one kind   Arthur France-Lanord
• [CP2K-user] [CP2K:21946] GAPW - only soft AO for one kind   Jürg Hutter
• [CP2K-user] [CP2K:21947] Different eigenvalues from Hybrids + ADMM calculations in CP2K 2025.1 compared to 2024.1   Max Pierre
• [CP2K-user] [CP2K:21949] Re: Different eigenvalues from Hybrids + ADMM calculations in CP2K 2025.1 compared to 2024.1   fabia... at gmail.com
• [CP2K-user] [CP2K:21950] Re: adding cube files   fabia... at gmail.com
• [CP2K-user] [CP2K:21950] Re: Different eigenvalues from Hybrids + ADMM calculations in CP2K 2025.1 compared to 2024.1   Max Pierre
• [CP2K-user] [CP2K:21951] Crash for TDDFT with RKS_TRIPLETS and ADMM   T deJ
• [CP2K-user] [CP2K:21952] Crash for TDDFT with RKS_TRIPLETS and ADMM   Jürg Hutter
• [CP2K-user] [CP2K:21953] Structure factors, comparison with independent atom model   Krack, Matthias
• [CP2K-user] [CP2K:21955] Which auxiliary basis set should I use for ADMM calculations?   Torstein Fjermestad
• [CP2K-user] [CP2K:21955] Which auxiliary basis set should I use for ADMM calculations?   Jürg Hutter
• [CP2K-user] [CP2K:21956] Re: Fermi surface visualization/ Kpoints related to &DFT&PRINT&MO   Mohammadreza Shirazi
• [CP2K-user] [CP2K:21957] SCF Convergence Issue in MOF/H⁺-g-C₃N₄ Relaxation with and without CDFT   Hamideh Kahnouji
• [CP2K-user] [CP2K:21959] SCPC method?   Elham M.Goliaei

Last message date: Tue Nov 11 16:35:26 UTC 2025
Archived on: Tue Nov 11 16:35:34 UTC 2025

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