2025 Archives by author

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Starting: Wed Jan 29 02:28:49 CET 2025
Ending: Thu Jul 3 11:03:19 CEST 2025
Messages: 43

• [DFTB-Plus-User] Electronic transport   Bálint Aradi
• [DFTB-Plus-User] XLbomd   Bálint Aradi
• [DFTB-Plus-User] DFTB phonon modes and dielectric constant tensor   Alejandro Trejo Banos
• [DFTB-Plus-User] band structure issues   Oscar A. Douglas-Gallardo
• [DFTB-Plus-User] band structure issues   Oscar A. Douglas-Gallardo
• [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] 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] 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] 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] 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] 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] Unable to download coefficients files corresponding to parameter files   arijit maity

Last message date: Thu Jul 3 11:03:19 CEST 2025
Archived on: Thu Jul 3 10:59:52 CEST 2025

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