April 2026 Archives by author

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Starting: Wed Apr 1 02:05:38 UTC 2026
Ending: Thu Apr 16 13:08:46 UTC 2026
Messages: 43

• [CP2K-user] [CP2K:22174] Re: SCF converges more slowly as AIMD progresses, but resets when restarting   Shiyang Wang (W0728)
• [CP2K-user] [CP2K:22179] Re: SCF converges more slowly as AIMD progresses, but resets when restarting   Shiyang Wang (W0728)
• [CP2K-user] [CP2K:22156] DOS and bandstructure of Si-cube   Andreas Döll
• [CP2K-user] [CP2K:22148] Re: DFTD4 problem 2026.1 version   Hehe
• [CP2K-user] [CP2K:22153] Choice of RI basis set fo RPA calculation of argon dimer   Jürg Hutter
• [CP2K-user] [CP2K:22155] Re: Question about substrate removal for STM simulations in cp2k   Marcella Iannuzzi
• [CP2K-user] [CP2K:22165] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Marcella Iannuzzi
• [CP2K-user] [CP2K:22185] Re: SCF converges more slowly as AIMD progresses, but resets when restarting   Marcella Iannuzzi
• [CP2K-user] [CP2K:22186] Re: ONIOM in CP2K   Marcella Iannuzzi
• [CP2K-user] [CP2K:22191] Re: ONIOM in CP2K   Marcella Iannuzzi
• [CP2K-user] [CP2K:22168] Umbrella sampling using plumed   Arzoo Jangra
• [CP2K-user] [CP2K:22190] Re: A question about running plumed together with cp2k   Arzoo Jangra
• [CP2K-user] [CP2K:22178] Issues printing MO eigenvalues   Krack, Matthias
• [CP2K-user] [CP2K:22156] Optimization inputs PDOS with HSE06 level of theory and AI-MD   Lorenzo Lagasco
• [CP2K-user] [CP2K:22161] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Lorenzo Lagasco
• [CP2K-user] [CP2K:22163] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Lorenzo Lagasco
• [CP2K-user] [CP2K:22165] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Lorenzo Lagasco
• [CP2K-user] [CP2K:22167] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Lorenzo Lagasco
• [CP2K-user] [CP2K:22170] Issues with HSE06 calculations   Lorenzo Lagasco
• [CP2K-user] [CP2K:22172] Re: Issues with HSE06 calculations   Lorenzo Lagasco
• [CP2K-user] [CP2K:22175] Issues printing MO eigenvalues   Lorenzo Lagasco
• [CP2K-user] [CP2K:22177] Unusual energy behavior for one image during NEB calculation (B-NEB)   Branislav Milovanović
• [CP2K-user] [CP2K:22149] Choice of RI basis set fo RPA calculation of argon dimer   Riccardo Pezzetta
• [CP2K-user] [CP2K:22158] Choice of RI basis set fo RPA calculation of argon dimer   Riccardo Pezzetta
• [CP2K-user] [CP2K:22170] Choice of RI basis set fo RPA calculation of argon dimer   Riccardo Pezzetta
• [CP2K-user] [CP2K:22186] Re: spin orbit coupling calculation in cp2k   BIBEK SAMAL
• [CP2K-user] [CP2K:22152] Question about substrate removal for STM simulations in cp2k   Shravni
• [CP2K-user] [CP2K:22151] Question about removing substrate for STM simulation   Shravni
• [CP2K-user] [CP2K:22151] Re: Choice of RI basis set fo RPA calculation of argon dimer   Frederick Stein
• [CP2K-user] [CP2K:22160] Choice of RI basis set fo RPA calculation of argon dimer   Frederick Stein
• [CP2K-user] [CP2K:22161] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Frederick Stein
• [CP2K-user] [CP2K:22163] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Frederick Stein
• [CP2K-user] [CP2K:22167] Re: Optimization inputs PDOS with HSE06 level of theory and AI-MD   Frederick Stein
• [CP2K-user] [CP2K:22172] Re: Issues with HSE06 calculations   Frederick Stein
• [CP2K-user] [CP2K:22157] qm_mm/image_charge: optical spectrum   Victor Volkov
• [CP2K-user] [CP2K:22182] Re: qm_mm/image_charge: optical spectrum   Victor Volkov
• [CP2K-user] [CP2K:22173] SCF converges more slowly as AIMD progresses, but resets when restarting   Yinyu chan
• [CP2K-user] [CP2K:22177] Re: SCF converges more slowly as AIMD progresses, but resets when restarting   Yinyu chan
• [CP2K-user] [CP2K:22183] Re: SCF converges more slowly as AIMD progresses, but resets when restarting   Yinyu chan
• [CP2K-user] [CP2K:22187] Re: SCF converges more slowly as AIMD progresses, but resets when restarting   Yinyu chan
• [CP2K-user] [CP2K:22181] ONIOM in CP2K   'daniel Storm' via cp2k
• [CP2K-user] [CP2K:22188] Re: ONIOM in CP2K   'daniel Storm' via cp2k
• [CP2K-user] [CP2K:22181] Re: qm_mm/image_charge: optical spectrum   jgh

Last message date: Thu Apr 16 13:08:46 UTC 2026
Archived on: Thu Apr 16 13:08:51 UTC 2026

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