2009 Archives by date
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
Christopher Mark Maupin
- [DFTB-Plus-User] Binding energy
Bálint Aradi
- [DFTB-Plus-User] Binding energy
juan pablo
- [DFTB-Plus-User] Binding energy
Reinaldo Pis Diez
- [DFTB-Plus-User] Binding energy
Bálint Aradi
- [DFTB-Plus-User] Compilation error
Hannah Fox
- [DFTB-Plus-User] Compilation error
Ben Hourahine
- [DFTB-Plus-User] detailed.out file
Axel Maeyens
- [DFTB-Plus-User] detailed.out file
Ben Hourahine
- [DFTB-Plus-User] detailed.out file
Reinaldo Pis Diez
- [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 13, Issue 5
Axel Maeyens
- [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 13, Issue 5
Ben Hourahine
- [DFTB-Plus-User] Cannot reproduce published geometries
Hannah Fox
- [DFTB-Plus-User] Cannot reproduce published geometries
Ben Hourahine
- [DFTB-Plus-User] Number of external charges in DFTB+
Bálint Aradi
- [DFTB-Plus-User] Number of external charges in DFTB+
Benjamin Woiczikowski
- [DFTB-Plus-User] Number of external charges in DFTB+
Bálint Aradi
- [DFTB-Plus-User] Number of external charges in DFTB+
Benjamin Woiczikowski
- [DFTB-Plus-User] Number of external charges in DFTB+
Bálint Aradi
- [DFTB-Plus-User] Pressure
Sergei Simdyankin
- [DFTB-Plus-User] DFTB (Hbonding damping function + 3rd Order energy term)
cmaupin at hec.utah.edu
- [DFTB-Plus-User] DFTB (Hbonding damping function + 3rd Order energy term)
Bálint Aradi
- [DFTB-Plus-User] Compiling dftb-plus in windows
Ewerton Caetano
- [DFTB-Plus-User] issues with diamond, free atom energy and DOS
Adt D Bhatu
- [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] DFTB (Hbonding damping function + 3rd Order energy term)
Bálint Aradi
- [DFTB-Plus-User] (no subject)
hmanzano at labein.es
- [DFTB-Plus-User] (no subject)
Ben Hourahine
- [DFTB-Plus-User] (no subject)
Bálint Aradi
- [DFTB-Plus-User] basis develop
Zhu Xi
- [DFTB-Plus-User] Vibration question
Mandelle Danser
- [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] basis develop
Zhu Xi
- [DFTB-Plus-User] Format of the MD run results
gaguilar at inescporto.pt
- [DFTB-Plus-User] Format of the MD run results
Ben Hourahine
- [DFTB-Plus-User] Phosphorus Parameter files
Mandelle Danser
- [DFTB-Plus-User] H2 energy problems
Mandelle Danser
- [DFTB-Plus-User] Phosphorus Parameter files
Bálint Aradi
- [DFTB-Plus-User] H2 energy problems
Bálint Aradi
- [DFTB-Plus-User] Phosphorus Parameter files
Christopher Rowan
- [DFTB-Plus-User] Format of skf files
Carlos Reis
- [DFTB-Plus-User] Format of the MD run results
gaguilar at inescporto.pt
- [DFTB-Plus-User] Phosphorus Parameterization
Mandelle Danser
- [DFTB-Plus-User] SCC convergence problem
yangming
- [DFTB-Plus-User] SCC convergence problem
Bálint Aradi
- [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 19, Issue 1
范果红
- [DFTB-Plus-User] MovedAtoms option
Ezgi Erdogan
- [DFTB-Plus-User] Problem of ZnO bulk structure optimization
yangming
- [DFTB-Plus-User] MovedAtoms option
Bálint Aradi
- [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 19, Issue 3
Yang Ming
- [DFTB-Plus-User] Problem of ZnO bulk structure optimization (yangming)
Ezgi Erdogan
- [DFTB-Plus-User] chalcogenide parameter files
gurinder singh
- [DFTB-Plus-User] Fixed atoms error during MD simulations
Ezgi Erdogan
- [DFTB-Plus-User] Fixed atoms error during MD simulations
Bálint Aradi
- [DFTB-Plus-User] Restrained Optimizations
Mandelle Danser
- [DFTB-Plus-User] Restrained Optimizations
Bálint Aradi
- [DFTB-Plus-User] DOS Fermi Energy problem
Ezgi Erdogan
- [DFTB-Plus-User] DOS Fermi Energy problem
Ezgi Erdogan
- [DFTB-Plus-User] Hydrides
Duncan Riley
- [DFTB-Plus-User] DOS Fermi Energy problem
Bálint Aradi
- [DFTB-Plus-User] Hydrides
Bálint Aradi
- [DFTB-Plus-User] DOS Fermi Energy problem
Ezgi Erdogan
- [DFTB-Plus-User] Format of skf files
Bálint Aradi
- [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
Ben Hourahine
- [DFTB-Plus-User] Format of skf files
Carlos Reis
- [DFTB-Plus-User] relaxation problems using DFTB+
Yang Ming
- [DFTB-Plus-User] relaxation problems using DFTB+
Duncan Riley
- [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 21, Issue 2
Yang Ming
- [DFTB-Plus-User] request for help to log in the dftb+
谭大志
- [DFTB-Plus-User] OCE Postdoctoral Fellowship - DFTB Modeling Nanoparticles for Drug Delivery
Amanda.Barnard at csiro.au
- [DFTB-Plus-User] xyz2gen and other scripts
Anne-Marie Kelterer
- [DFTB-Plus-User] MD in liquid water
Paulo Cesar Piquini
- [DFTB-Plus-User] MD in liquid water
Christopher Mark Maupin
- [DFTB-Plus-User] MD in liquid water
Paulo Cesar Piquini
- [DFTB-Plus-User] MD in liquid water
Ben Hourahine
- [DFTB-Plus-User] MD in liquid water
Christopher Mark Maupin
- [DFTB-Plus-User] MD in liquid water
Paulo Cesar Piquini
- [DFTB-Plus-User] MD in liquid water
Christopher Mark Maupin
- [DFTB-Plus-User] MD in liquid water
Bálint Aradi
- [DFTB-Plus-User] xyz2gen and other scripts
Bálint Aradi
- [DFTB-Plus-User] frequency calculation in DFTB+
Anne-Marie Kelterer
- [DFTB-Plus-User] Help
Yang Ming
- [DFTB-Plus-User] frequency calculation in DFTB+
Ben Hourahine
- [DFTB-Plus-User] frequency calculation in DFTB+
Anne-Marie Kelterer
- [DFTB-Plus-User] graphene energy band calculations
Alexander Dobrinsky
- [DFTB-Plus-User] LDA or GGA-PBE for mio-0-1 trans3d znorg-0-1 for atomic spin constants ?
Markus Kaukonen
- [DFTB-Plus-User] [Fwd: MD periodic problem]
Debasis Sengupta
- [DFTB-Plus-User] Impulse Dynamics question
David L. Azevedo
- [DFTB-Plus-User] Vibrational Spectrum question
David L. Azevedo
- [DFTB-Plus-User] Unexpected error
hmanzano at labein.es
- [DFTB-Plus-User] Unexpected error
Bálint Aradi
- [DFTB-Plus-User] Vibrational Spectrum question
Bálint Aradi
- [DFTB-Plus-User] Help
Bálint Aradi
- [DFTB-Plus-User] iodine sk ?
Markus Kaukonen
- [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] Formation and breaking process of Zno nanowires question
David L. Azevedo
- [DFTB-Plus-User] Formation and breaking process of Zno nanowires question
Marcelo Zimmer
- [DFTB-Plus-User] Plotting the density of states
Zhang YingYing
- [DFTB-Plus-User] Plotting the density of states
Bálint Aradi
- [DFTB-Plus-User] DFTB+ Repulsive energy
Bálint Aradi
- [DFTB-Plus-User] Molecular Dynamics ERROR
Mandelle Danser
- [DFTB-Plus-User] Molecular Dynamics ERROR
Bálint Aradi
- [DFTB-Plus-User] SCF inquiry
Mandelle Danser
- [DFTB-Plus-User] SCF inquiry
Ben Hourahine
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Duo SONG
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Ben Hourahine
- [DFTB-Plus-User] Cannot Compile dftb-plus!
gaguilar at inescporto.pt
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Duo SONG
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Ben Hourahine
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Duo SONG
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Ben Hourahine
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Duo SONG
- [DFTB-Plus-User] Cannot Compile dftb-plus!
Ben Hourahine
- [DFTB-Plus-User] Cannot Compile dftb-plus!
gaguilar at inescporto.pt
- [DFTB-Plus-User] dftb-plus autotest failed
Duo SONG
- [DFTB-Plus-User] dftb-plus autotest failed
Duo SONG
- [DFTB-Plus-User] dftb-plus autotest failed
Ben Hourahine
Last message date:
Sun Dec 27 11:47:30 CET 2009
Archived on: Fri Jul 19 10:37:02 CEST 2024
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