2025 Archives by author
Starting: Wed Jan 29 02:28:49 CET 2025
Ending: Mon Oct 27 15:49:16 CET 2025
Messages: 69
- [DFTB-Plus-User] Electronic Coupling
Alam, Bushra
- [DFTB-Plus-User] [External] Re: Electronic Coupling
Alam, Bushra
- [DFTB-Plus-User] [External] Re: Electronic Coupling
Alam, Bushra
- [DFTB-Plus-User] Electronic transport
Bálint Aradi
- [DFTB-Plus-User] XLbomd
Bálint Aradi
- [DFTB-Plus-User] dipole moment for each atoms in DFTB MD
Bálint Aradi
- [DFTB-Plus-User] Question on Background Charge Effects in Fixed-Charge Simulations
Bálint Aradi
- [DFTB-Plus-User] SCC Never converged inn DFTB MD
Bálint Aradi
- [DFTB-Plus-User] Band Structure Issues
Bálint Aradi
- [DFTB-Plus-User] Molecule rotation during thermalisation
Bálint Aradi
- [DFTB-Plus-User] px, py, pz PDOS for graphene
Bálint Aradi
- [DFTB-Plus-User] DFTB phonon modes and dielectric constant tensor
Alejandro Trejo Banos
- [DFTB-Plus-User] Problem with Driver = Geometry-optimization
Mohammadamir Bazrafshan
- [DFTB-Plus-User] Question on NEB / DFTB+
Cedric Crespos
- [DFTB-Plus-User] Question on NEB / DFTB+
Reinaldo Pis Diez
- [DFTB-Plus-User] band structure issues
Oscar A. Douglas-Gallardo
- [DFTB-Plus-User] band structure issues
Oscar A. Douglas-Gallardo
- [DFTB-Plus-User] Band Structure Issues
Oscar A. Douglas-Gallardo
- [DFTB-Plus-User] Band Structure Issues
Oscar A. Douglas-Gallardo
- [DFTB-Plus-User] Molecule rotation during thermalisation
Ruggero Gabbrielli
- [DFTB-Plus-User] Spin-polarized cal. in DFTB+
Benjamin Hourahine
- [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O
Benjamin Hourahine
- [DFTB-Plus-User] Error in opening file 'struct.gen' + transport calculations
Benjamin Hourahine
- [DFTB-Plus-User] Compiling DFTB+ Request: MD Per-atom-energies
Benjamin Hourahine
- [DFTB-Plus-User] Compiling DFTB+ Request: MD Per-atom-energies
Benjamin Hourahine
- [DFTB-Plus-User] Compiling DFTB+ Request: MD Per-atom-energies
Benjamin Hourahine
- [DFTB-Plus-User] XLbomd
Jacek Jakowski
- [DFTB-Plus-User] XLbomd
Jacek Jakowski
- [DFTB-Plus-User] Compiling DFTB+ Request: MD Per-atom-energies
Alison A. Jensen
- [DFTB-Plus-User] px, py, pz PDOS for graphene
Peter Klaver
- [DFTB-Plus-User] px, py, pz PDOS for graphene
Peter Klaver
- [DFTB-Plus-User] work function calculation for a metallic slab
Ravi Kumar
- [DFTB-Plus-User] Planar average potential for a slab
Ravi Kumar
- [DFTB-Plus-User] Spin-polarized cal. in DFTB+
Channyung Lee
- [DFTB-Plus-User] DFTB+ for cobalt with spins
Vladimir Lipp
- [DFTB-Plus-User] Constraint for bonds
Wagner Müller
- [DFTB-Plus-User] wfc files for TD-LC-DFTB Hamiltonian
Thomas Niehaus
- [DFTB-Plus-User] DFTB phonon modes and dielectric constant tensor
Thomas Niehaus
- [DFTB-Plus-User] Electronic Coupling
Thomas Niehaus
- [DFTB-Plus-User] [External] Re: Electronic Coupling
Thomas Niehaus
- [DFTB-Plus-User] R: Transport Calculation Issues with Poisson Box and Poisson gate
ALESSANDRO PECCHIA
- [DFTB-Plus-User] Problem with Driver = Geometry-optimization
Brault Pascal
- [DFTB-Plus-User] Transport Calculation Issues with Poisson Box and Poisson gate
Pierre.Cazade
- [DFTB-Plus-User] Transport Calculation Issues with Poisson Box and Poisson gate
Pierre.Cazade
- [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O
ACHYUT SUBEDI
- [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O
ACHYUT SUBEDI
- [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O
ACHYUT SUBEDI
- [DFTB-Plus-User] Single point calculation with applied pressure
ACHYUT SUBEDI
- [DFTB-Plus-User] dipole moment for each atoms in DFTB MD
ACHYUT SUBEDI
- [DFTB-Plus-User] SCC Never converged inn DFTB MD
ACHYUT SUBEDI
- [DFTB-Plus-User] wfc files for TD-LC-DFTB Hamiltonian
Ljiljana Stojanovic
- [DFTB-Plus-User] wfc files for TD-LC-DFTB Hamiltonian
Ljiljana Stojanovic
- [DFTB-Plus-User] How to perform frequency calculation
Joshi Vimal
- [DFTB-Plus-User] DFTB phonon modes and dielectric constant tensor
Joshi Vimal
- [DFTB-Plus-User] DFTB phonon modes and dielectric constant tensor
Joshi Vimal
- [DFTB-Plus-User] How to get frequency from hessian.out
Joshi Vimal
- [DFTB-Plus-User] How to get frequency from hessian.out
Joshi Vimal
- [DFTB-Plus-User] Question on Background Charge Effects in Fixed-Charge Simulations
Zhour, Kazem
- [DFTB-Plus-User] Spin-polarized cal. in DFTB+
toufik essakhri
- [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O
toufik essakhri
- [DFTB-Plus-User] Electronic transport
toufik essakhri
- [DFTB-Plus-User] Error in opening file 'struct.gen' + transport calculations
toufik essakhri
- [DFTB-Plus-User] transmission (conductuvity) very low
toufik essakhri
- [DFTB-Plus-User] How to get frequency from hessian.out
Amritpal ghumman
- [DFTB-Plus-User] How to get frequency from hessian.out
Amritpal ghumman
- [DFTB-Plus-User] شهادة الأبوة في المغرب
jib l3azz
- [DFTB-Plus-User] شهادة الأبوة في المغرب
jib l3azz
- [DFTB-Plus-User] انضم لحساب Canva Pro مجانًا الآن
jib l3azz
- [DFTB-Plus-User] Unable to download coefficients files corresponding to parameter files
arijit maity
Last message date:
Mon Oct 27 15:49:16 CET 2025
Archived on: Mon Oct 27 15:49:35 CET 2025
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