2009 Archives by thread

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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 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 Reinaldo Pis Diez
  - [DFTB-Plus-User] detailed.out file Ben Hourahine
[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] DFTB (Hbonding damping function + 3rd Order energy term) Bálint Aradi
[DFTB-Plus-User] Compiling dftb-plus in windows Ewerton Caetano
- [DFTB-Plus-User] Compiling dftb-plus in windows Benjamin Hourahine
[DFTB-Plus-User] issues with diamond, free atom energy and DOS Adt D Bhatu
- [DFTB-Plus-User] issues with diamond, free atom energy and DOS Benjamin Hourahine
[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] basis develop 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] Format of the MD run results gaguilar at inescporto.pt
[DFTB-Plus-User] Vibration question Mandelle Danser
- [DFTB-Plus-User] Vibration question 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] Phosphorus Parameter files Mandelle Danser
- [DFTB-Plus-User] Phosphorus Parameter files Bálint Aradi
- [DFTB-Plus-User] Phosphorus Parameter files Christopher Rowan
[DFTB-Plus-User] H2 energy problems Mandelle Danser
- [DFTB-Plus-User] H2 energy problems Bálint Aradi
[DFTB-Plus-User] Format of skf files Carlos Reis
- [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] 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] MovedAtoms option Bálint Aradi
[DFTB-Plus-User] Problem of ZnO bulk structure optimization yangming
[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] DOS Fermi Energy problem Bálint Aradi
  - [DFTB-Plus-User] DOS Fermi Energy problem Ezgi Erdogan
[DFTB-Plus-User] Hydrides Duncan Riley
- [DFTB-Plus-User] Hydrides Bálint Aradi
[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] xyz2gen and other scripts Bálint Aradi
[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] frequency calculation in DFTB+ Anne-Marie Kelterer
- [DFTB-Plus-User] frequency calculation in DFTB+ Ben Hourahine
  - [DFTB-Plus-User] frequency calculation in DFTB+ Anne-Marie Kelterer
[DFTB-Plus-User] Help Yang Ming
- [DFTB-Plus-User] Help Bálint Aradi
[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] 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] Debasis Sengupta
- [DFTB-Plus-User] [Fwd: MD periodic problem] Bálint Aradi
[DFTB-Plus-User] Impulse Dynamics question David L. Azevedo
- [DFTB-Plus-User] Impulse Dynamics question Bálint Aradi
[DFTB-Plus-User] Vibrational Spectrum question David L. Azevedo
- [DFTB-Plus-User] Vibrational Spectrum question Bálint Aradi
[DFTB-Plus-User] Unexpected error hmanzano at labein.es
- [DFTB-Plus-User] Unexpected error Bálint Aradi
[DFTB-Plus-User] iodine sk ? Markus Kaukonen
[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! 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! 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] 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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