2009 Archives by author

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Starting: Mon Jan 5 18:42:06 CET 2009
Ending: Sun Dec 27 11:47:30 CET 2009
Messages: 126

• [DFTB-Plus-User] Binding energy   Bálint Aradi
• [DFTB-Plus-User] Binding energy   Bálint Aradi
• [DFTB-Plus-User] Number of external charges in DFTB+   Bálint Aradi
• [DFTB-Plus-User] Number of external charges in DFTB+   Bálint Aradi
• [DFTB-Plus-User] Number of external charges in DFTB+   Bálint Aradi
• [DFTB-Plus-User] DFTB (Hbonding damping function + 3rd Order energy term)   Bálint Aradi
• [DFTB-Plus-User] DFTB (Hbonding damping function + 3rd Order energy term)   Bálint Aradi
• [DFTB-Plus-User] (no subject)   Bálint Aradi
• [DFTB-Plus-User] Obtaining band structure and charge distribution   Bálint Aradi
• [DFTB-Plus-User] E(rep) question   Bálint Aradi
• [DFTB-Plus-User] PDOS using dftb+   Bálint Aradi
• [DFTB-Plus-User] basis develop   Bálint Aradi
• [DFTB-Plus-User] Vibration question   Bálint Aradi
• [DFTB-Plus-User] Phosphorus Parameter files   Bálint Aradi
• [DFTB-Plus-User] H2 energy problems   Bálint Aradi
• [DFTB-Plus-User] SCC convergence problem   Bálint Aradi
• [DFTB-Plus-User] MovedAtoms option   Bálint Aradi
• [DFTB-Plus-User] Fixed atoms error during MD simulations   Bálint Aradi
• [DFTB-Plus-User] Restrained Optimizations   Bálint Aradi
• [DFTB-Plus-User] DOS Fermi Energy problem   Bálint Aradi
• [DFTB-Plus-User] Hydrides   Bálint Aradi
• [DFTB-Plus-User] Format of skf files   Bálint Aradi
• [DFTB-Plus-User] MD in liquid water   Bálint Aradi
• [DFTB-Plus-User] xyz2gen and other scripts   Bálint Aradi
• [DFTB-Plus-User] Unexpected error   Bálint Aradi
• [DFTB-Plus-User] Vibrational Spectrum question   Bálint Aradi
• [DFTB-Plus-User] Help   Bálint Aradi
• [DFTB-Plus-User] LDA or GGA-PBE for mio-0-1 trans3d znorg-0-1 for atomic spin constants ?   Bálint Aradi
• [DFTB-Plus-User] [Fwd: MD periodic problem]   Bálint Aradi
• [DFTB-Plus-User] Impulse Dynamics question   Bálint Aradi
• [DFTB-Plus-User] Plotting the density of states   Bálint Aradi
• [DFTB-Plus-User] DFTB+ Repulsive energy   Bálint Aradi
• [DFTB-Plus-User] Molecular Dynamics ERROR   Bálint Aradi
• [DFTB-Plus-User] Impulse Dynamics question   David L. Azevedo
• [DFTB-Plus-User] Vibrational Spectrum question   David L. Azevedo
• [DFTB-Plus-User] Formation and breaking process of Zno nanowires question   David L. Azevedo
• [DFTB-Plus-User] issues with diamond, free atom energy and DOS   Adt D Bhatu
• [DFTB-Plus-User] Compiling dftb-plus in windows   Ewerton Caetano
• [DFTB-Plus-User] Vibration question   Mandelle Danser
• [DFTB-Plus-User] Phosphorus Parameter files   Mandelle Danser
• [DFTB-Plus-User] H2 energy problems   Mandelle Danser
• [DFTB-Plus-User] Phosphorus Parameterization   Mandelle Danser
• [DFTB-Plus-User] Restrained Optimizations   Mandelle Danser
• [DFTB-Plus-User] Molecular Dynamics ERROR   Mandelle Danser
• [DFTB-Plus-User] SCF inquiry   Mandelle Danser
• [DFTB-Plus-User] Binding energy   Reinaldo Pis Diez
• [DFTB-Plus-User] detailed.out file   Reinaldo Pis Diez
• [DFTB-Plus-User] graphene energy band calculations   Alexander Dobrinsky
• [DFTB-Plus-User] MovedAtoms option   Ezgi Erdogan
• [DFTB-Plus-User] Problem of ZnO bulk structure optimization (yangming)   Ezgi Erdogan
• [DFTB-Plus-User] Fixed atoms error during MD simulations   Ezgi Erdogan
• [DFTB-Plus-User] DOS Fermi Energy problem   Ezgi Erdogan
• [DFTB-Plus-User] DOS Fermi Energy problem   Ezgi Erdogan
• [DFTB-Plus-User] DOS Fermi Energy problem   Ezgi Erdogan
• [DFTB-Plus-User] Compilation error   Hannah Fox
• [DFTB-Plus-User] Cannot reproduce published geometries   Hannah Fox
• [DFTB-Plus-User] Compilation error   Ben Hourahine
• [DFTB-Plus-User] detailed.out file   Ben Hourahine
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 13, Issue 5   Ben Hourahine
• [DFTB-Plus-User] Cannot reproduce published geometries   Ben Hourahine
• [DFTB-Plus-User] (no subject)   Ben Hourahine
• [DFTB-Plus-User] Format of the MD run results   Ben Hourahine
• [DFTB-Plus-User] Format of skf files   Ben Hourahine
• [DFTB-Plus-User] MD in liquid water   Ben Hourahine
• [DFTB-Plus-User] frequency calculation in DFTB+   Ben Hourahine
• [DFTB-Plus-User] SCF inquiry   Ben Hourahine
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Ben Hourahine
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Ben Hourahine
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Ben Hourahine
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Ben Hourahine
• [DFTB-Plus-User] dftb-plus autotest failed   Ben Hourahine
• [DFTB-Plus-User] Compiling dftb-plus in windows   Benjamin Hourahine
• [DFTB-Plus-User] issues with diamond, free atom energy and DOS   Benjamin Hourahine
• [DFTB-Plus-User] LDA or GGA-PBE for mio-0-1 trans3d znorg-0-1 for atomic spin constants ?   Markus Kaukonen
• [DFTB-Plus-User] iodine sk ?   Markus Kaukonen
• [DFTB-Plus-User] xyz2gen and other scripts   Anne-Marie Kelterer
• [DFTB-Plus-User] frequency calculation in DFTB+   Anne-Marie Kelterer
• [DFTB-Plus-User] frequency calculation in DFTB+   Anne-Marie Kelterer
• [DFTB-Plus-User] detailed.out file   Axel Maeyens
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 13, Issue 5   Axel Maeyens
• [DFTB-Plus-User] Binding energy   Christopher Mark Maupin
• [DFTB-Plus-User] MD in liquid water   Christopher Mark Maupin
• [DFTB-Plus-User] MD in liquid water   Christopher Mark Maupin
• [DFTB-Plus-User] MD in liquid water   Christopher Mark Maupin
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 19, Issue 3   Yang Ming
• [DFTB-Plus-User] relaxation problems using DFTB+   Yang Ming
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 21, Issue 2   Yang Ming
• [DFTB-Plus-User] Help   Yang Ming
• [DFTB-Plus-User] MD in liquid water   Paulo Cesar Piquini
• [DFTB-Plus-User] MD in liquid water   Paulo Cesar Piquini
• [DFTB-Plus-User] MD in liquid water   Paulo Cesar Piquini
• [DFTB-Plus-User] Format of skf files   Carlos Reis
• [DFTB-Plus-User] Format of skf files   Carlos Reis
• [DFTB-Plus-User] Format of skf files   Carlos Reis
• [DFTB-Plus-User] Format of skf files   Carlos Reis
• [DFTB-Plus-User] Hydrides   Duncan Riley
• [DFTB-Plus-User] relaxation problems using DFTB+   Duncan Riley
• [DFTB-Plus-User] Phosphorus Parameter files   Christopher Rowan
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Duo SONG
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Duo SONG
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Duo SONG
• [DFTB-Plus-User] Cannot Compile dftb-plus!   Duo SONG
• [DFTB-Plus-User] dftb-plus autotest failed   Duo SONG
• [DFTB-Plus-User] dftb-plus autotest failed   Duo SONG
• [DFTB-Plus-User] [Fwd: MD periodic problem]   Debasis Sengupta
• [DFTB-Plus-User] Pressure   Sergei Simdyankin
• [DFTB-Plus-User] Number of external charges in DFTB+   Benjamin Woiczikowski
• [DFTB-Plus-User] Number of external charges in DFTB+   Benjamin Woiczikowski
• [DFTB-Plus-User] basis develop   Zhu Xi
• [DFTB-Plus-User] basis develop   Zhu Xi
• [DFTB-Plus-User] Plotting the density of states   Zhang YingYing
• [DFTB-Plus-User] Formation and breaking process of Zno nanowires question   Marcelo Zimmer
• [DFTB-Plus-User] OCE Postdoctoral Fellowship - DFTB Modeling Nanoparticles for Drug Delivery   Amanda.Barnard at csiro.au
• [DFTB-Plus-User] DFTB (Hbonding damping function + 3rd Order energy term)   cmaupin at hec.utah.edu
• [DFTB-Plus-User] Format of the MD run results   gaguilar at inescporto.pt
• [DFTB-Plus-User] Format of the MD run results   gaguilar at inescporto.pt
• [DFTB-Plus-User] Cannot Compile dftb-plus!   gaguilar at inescporto.pt
• [DFTB-Plus-User] Cannot Compile dftb-plus!   gaguilar at inescporto.pt
• [DFTB-Plus-User] (no subject)   hmanzano at labein.es
• [DFTB-Plus-User] Unexpected error   hmanzano at labein.es
• [DFTB-Plus-User] Binding energy   juan pablo
• [DFTB-Plus-User] chalcogenide parameter files   gurinder singh
• [DFTB-Plus-User] SCC convergence problem   yangming
• [DFTB-Plus-User] Problem of ZnO bulk structure optimization   yangming
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 19, Issue 1   范果红
• [DFTB-Plus-User] request for help to log in the dftb+   谭大志

Last message date: Sun Dec 27 11:47:30 CET 2009
Archived on: Sun Dec 27 11:47:50 CET 2009

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