May 2012 Archives by author

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

Starting: Tue May 1 10:48:44 CEST 2012
Ending: Thu May 31 21:52:23 CEST 2012
Messages: 75

• [gpaw-users] RuO2 NiO   Niels Theis Bendtsen
• [gpaw-users] Scripts provided   Niels Theis Bendtsen
• [gpaw-users] RuO2 NiO   Niels Theis Bendtsen
• [gpaw-users] Trouble with spin-polarized calculation convergence NO molecule   Clayborne, Penee A.
• [gpaw-users] NEB convergence   Hieu Doan
• [gpaw-users] Problem running parallel GPAW   Marcin Dulak
• [gpaw-users] lcao atomization energies   Marcin Dulak
• [gpaw-users] RuO2 NiO   Marcin Dulak
• [gpaw-users] NEB convergence   Marcin Dulak
• [gpaw-users] Van der Waals correction   Marcin Dulak
• [gpaw-users] Problems with Zn and Cd setups?   Marcin Dulak
• [gpaw-users] Trouble with spin-polarized calculation convergence NO molecule   Marcin Dulak
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   Marcin Dulak
• [gpaw-users] Bader analysis   Marcin Dulak
• [gpaw-users] Bader analysis   Marcin Dulak
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   Marcin Dulak
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   Marcin Dulak
• [gpaw-users] installation on CentOS 6, parallel version not built   Marcin Dulak
• [gpaw-users] DFT+U-Failed to converge   Marcin Dulak
• [gpaw-users] installation on CentOS 6, parallel version not built   Marcin Dulak
• [gpaw-users] installation on CentOS 6, parallel version not built   Marcin Dulak
• [gpaw-users] installation on CentOS 6, parallel version not built   Marcin Dulak
• [gpaw-users] Van der Waals correction   Rico Friedrich
• [gpaw-users] Van der Waals correction   Rico Friedrich
• [gpaw-users] orbital_ldos   Rico Friedrich
• [gpaw-users] orbital_ldos   Rico Friedrich
• [gpaw-users] How to get the trajectory during TDDFT (ehrenfest md)   Christian Glinsvad
• [gpaw-users] Problem with workfunction calculation   Fredric Granberg
• [gpaw-users] Information about the eggbox effect   Ulrik Grønbjerg
• [gpaw-users] Information about the eggbox effect   Ulrik Grønbjerg
• [gpaw-users] problems with ase.wannier   Torsten Hahn
• [gpaw-users] Bader analysis   Vladislav Ivanistsev
• [gpaw-users] Bader analysis   Vladislav Ivanistsev
• [gpaw-users] non self-consistent calculation   Chengjun Jin
• [gpaw-users] Positive total energies with B3LYP XC   Georg Kastlunger
• [gpaw-users] Positive total energies with B3LYP XC   Georg Kastlunger
• [gpaw-users] Fwd: GPW reading zero temp. energy   David Dominic Landis
• [gpaw-users] lcao atomization energies   Ask Hjorth Larsen
• [gpaw-users] Problems with Zn and Cd setups?   Ask Hjorth Larsen
• [gpaw-users] orbital_ldos   Ask Hjorth Larsen
• [gpaw-users] a quick question about ase..   Ask Hjorth Larsen
• [gpaw-users] RuO2 NiO   Isabela Man
• [gpaw-users] installation on CentOS 6, parallel version not built   Misha Monder
• [gpaw-users] installation on CentOS 6, parallel version not built   Misha Monder
• [gpaw-users] installation on CentOS 6, parallel version not built   Misha Monder
• [gpaw-users] installation on CentOS 6, parallel version not built   Misha Monder
• [gpaw-users] problems with ase.wannier   Jens Jørgen Mortensen
• [gpaw-users] Plotting HOMO LUMO from LCAO mode   Jens Jørgen Mortensen
• [gpaw-users] problems with ase.wannier   Jens Jørgen Mortensen
• [gpaw-users] non self-consistent calculation   Jens Jørgen Mortensen
• [gpaw-users] IRC meeting tomorrow at 16:30 UTS+1   Jens Jørgen Mortensen
• [gpaw-users] Trouble with spin-polarized calculation convergence NO molecule   Jens Jørgen Mortensen
• [gpaw-users] Problem with workfunction calculation   Jens Jørgen Mortensen
• [gpaw-users] IRC meeting tomorrow at 16:30 UTS+1   Jens Jørgen Mortensen
• [gpaw-users] Summary of IRC meeting #6   Jens Jørgen Mortensen
• [gpaw-users] DFT+U-Failed to converge   Monica Garcia Mota
• [gpaw-users] RuO2 NiO   Christopher O'Grady
• [gpaw-users] bfgs line search   Sampsa Riikonen
• [gpaw-users] a quick question about ase..   Sampsa Riikonen
• [gpaw-users] Problems with Zn and Cd setups?   Jakob Schiøtz
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   Ole Jess Stausholm-Møller
• [gpaw-users] NEB convergence   Lasse Vilhelmsen
• [gpaw-users] Information about the eggbox effect   Michael Walter
• [gpaw-users] Van der Waals correction   Michael Walter
• [gpaw-users] Van der Waals correction   Michael Walter
• [gpaw-users] Trouble with spin-polarized calculation convergence NO molecule   Michael Walter
• [gpaw-users] RuO2 NiO   Jess Wellendorff
• [gpaw-users] RuO2 NiO   Jess Wellendorff
• [gpaw-users] bfgs line search   Jess Wellendorff
• [gpaw-users] bfgs line search   Jess Wellendorff
• [gpaw-users] Fwd: GPW reading zero temp. energy   Jess Wellendorff
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   Zhenhua Zeng
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   jun yan
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   jun yan
• [gpaw-users] Lattice parameter with GGA or GGA+U ?   jun yan

Last message date: Thu May 31 21:52:23 CEST 2012
Archived on: Thu May 31 21:52:27 CEST 2012

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