June 2026 Archives by date

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

Starting: Mon Jun 1 07:03:41 UTC 2026
Ending: Fri Jun 12 15:30:49 UTC 2026
Messages: 23

• [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

Last message date: Fri Jun 12 15:30:49 UTC 2026
Archived on: Fri Jun 12 15:51:38 UTC 2026

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