December 2009 Archives by subject

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Starting: Tue Dec 1 11:09:25 UTC 2009
Ending: Tue Dec 29 23:13:17 UTC 2009
Messages: 58

• [CP2K:2430] convergence of the electronic wavefunction for metal surface   Juerg Hutter
• [CP2K:2436] Pure semiempirical calculation   Laino Teodoro
• [CP2K:2438] Re: Pure semiempirical calculation   Laino Teodoro
• [CP2K:2440] TPSS - differences with cp2k/gamess   Teodoro Laino
• [CP2K:2440] TPSS - differences with cp2k/gamess   Juerg Hutter
• [CP2K:2443] convergence of energy&forces when using periodic decoupling   Teodoro Laino
• [CP2K:2447] NEB with QMMM   Teodoro Laino
• [CP2K:2449] Optimized atomic coordinates have been changed   Teodoro Laino
• [CP2K:2450] Optimized atomic coordinates have been changed   Nguyen Ngoc Ha
• [CP2K:2456] GHOST atom with BASIS_SET   Teodoro Laino
• [CP2K:2459] cannot restart with constraint/restraint   Teodoro Laino
• [CP2K:2460] cannot restart with constraint/restraint   Liu
• [CP2K:2460] cannot restart with constraint/restraint   Liu
• [CP2K:2462] cannot restart with constraint/restraint   Teodoro Laino
• [CP2K:2463] cannot restart with constraint/restraint   Liu
• [CP2K:2464] cannot restart with constraint/restraint   Teodoro Laino
• [CP2K:2465] cannot restart with constraint/restraint   Liu
• [CP2K:2466] cannot restart with constraint/restraint   Teodoro Laino
• [CP2K:2467] cannot restart with constraint/restraint   Liu
• [CP2K:2467] cannot restart with constraint/restraint   Liu
• [CP2K:2468] cannot restart with constraint/restraint   Teodoro Laino
• [CP2K:2471] possible bug in cp_ddapc_types.F   Teodoro Laino
• [CP2K:2473] GHOST and QMMM   Laino Teodoro
• [CP2K:2474] GHOST and QMMM   Stanislav Avdoshenko
• [CP2K:2475] GHOST and QMMM   Laino Teodoro
• [CP2K:2476] GHOST and QMMM   Stanislav Avdoshenko
• [CP2K:2477] GHOST and QMMM   Teodoro Laino
• [CP2K:2478] GHOST and QMMM   Stanislav Avdoshenko
• [CP2K:2480] EPR calculation with PBC   Teodoro Laino
• cannot restart with constraint/restraint   Liu
• convergence of energy&forces when using periodic decoupling   Csilla Varnai
• convergence of the electronic wavefunction for metal surface   ires
• convergence of the electronic wavefunction for metal surface   Matthias Krack
• convergence of the electronic wavefunction for metal surface   ires
• EPR calculation with PBC   Caterina
• EPR calculation with PBC   Reinout
• Fermi-Dirac smearing   Nir
• Fermi-Dirac smearing   Matthias Krack
• GHOST and QMMM   s.avdo... at gmail.com
• GHOST atom with BASIS_SET   Liu
• GPW calculations with hybrid functionals   Simone Piccinin
• GPW calculations with hybrid functionals   mguidon
• GPW calculations with hybrid functionals   Simone Piccinin
• GPW calculations with hybrid functionals   mguidon
• help me: compile undefined reference ...   netscape
• help me: compile undefined reference ...   flo
• help me: compile undefined reference ...   Luca
• help me: compile undefined reference ...   netscape
• help me: compile undefined reference ...   Luca
• NEB with QMMM   Nguyen Ngoc Ha
• Optimized atomic coordinates have been changed   Nguyen Ngoc Ha
• PDOS List   Maricarmen
• PDOS List   marci
• PDOS List   Maricarmen
• possible bug in cp_ddapc_types.F   Noam Bernstein
• Pure semiempirical calculation   shihao
• Pure semiempirical calculation   shihao
• TPSS - differences with cp2k/gamess   ires

Last message date: Tue Dec 29 23:13:17 UTC 2009
Archived on: Thu Mar 3 11:47:26 UTC 2022

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