2024 Archives by thread

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Starting: Fri Jan 12 10:55:39 CET 2024
Ending: Tue May 7 18:12:11 CEST 2024
Messages: 66

• [DFTB-Plus-User] The Raman calculation for a periodic structure   Mohsen Modarresi
• [DFTB-Plus-User] (no subject)   Perera, Duwage Charitha
  • [DFTB-Plus-User] (no subject)   toufik essakhri
  • [DFTB-Plus-User] (no subject)   M.Ghoohestani
  • [DFTB-Plus-User] (no subject)   M.Ghoohestani
• [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Mgcf Departmental
  • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Thomas Niehaus
    • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Mgcf Departmental
      • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Thomas Niehaus
      • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Mgcf Departmental
      • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Thomas Niehaus
      • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Mgcf Departmental
      • [DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB   Thomas Niehaus
• [DFTB-Plus-User] Slakos file for C-Se   Farlando Diengdoh
• [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Francesca Lønstad Bleken
  • [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Bálint Aradi
    • [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Francesca Lønstad Bleken
      • [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Bálint Aradi
      • [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Francesca Lønstad Bleken
      • [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Bálint Aradi
      • [DFTB-Plus-User] Running DFTB+ with XTB (tblite)   Francesca Lønstad Bleken
• [DFTB-Plus-User] NRL tight-binding parameters   William Shelton
  • [DFTB-Plus-User] NRL tight-binding parameters   Bálint Aradi
• [DFTB-Plus-User] DFTB+ 24.1 released   Bálint Aradi
• [DFTB-Plus-User] I can not access to mailing list   M.Ghoohestani
• [DFTB-Plus-User] SK_mixing   keshtan
• [DFTB-Plus-User] vg-RTTDDFTB   luca.sementa at pi.ipcf.cnr.it
  • [DFTB-Plus-User] vg-RTTDDFTB   Bálint Aradi
• [DFTB-Plus-User] Regarding use of P atom in QM/MM simulations   Abhinav Srivastava
• [DFTB-Plus-User] SK_parameters   keshtan
  • [DFTB-Plus-User] SK_parameters   Thomas Niehaus
    • [DFTB-Plus-User] SK_parameters   keshtan
      • [DFTB-Plus-User] SK_parameters   Thomas Niehaus
• [DFTB-Plus-User] latticeOpt_error   keshtan
  • [DFTB-Plus-User] latticeOpt_error   Bálint Aradi
    • [DFTB-Plus-User] latticeOpt_error   keshtan
• [DFTB-Plus-User] Mulliken analysis along the trajectory   Lyu, Dongyu
  • [DFTB-Plus-User] Mulliken analysis along the trajectory   Bálint Aradi
    • [DFTB-Plus-User] Mulliken analysis along the trajectory   Lyu, Dongyu
      • [DFTB-Plus-User] Mulliken analysis along the trajectory   Bálint Aradi
      • [DFTB-Plus-User] Mulliken analysis along the trajectory   Lyu, Dongyu
• [DFTB-Plus-User] geometry constraints   toufik essakhri
• [DFTB-Plus-User] MgO crystal GFN2-xtb does not converge   Evgeny Permyakov
• [DFTB-Plus-User] Excited state forces   Lyu, Dongyu
  • [DFTB-Plus-User] Excited state forces   Thomas Niehaus
    • [DFTB-Plus-User] Excited state forces   Lyu, Dongyu
      • [DFTB-Plus-User] Excited state forces   NIEHAUS THOMAS
• [DFTB-Plus-User] Error in DFTB Calculations with Periodic Boundry Conditions   Amritpal ghumman
  • [DFTB-Plus-User] Error in DFTB Calculations with Periodic Boundry Conditions   Bálint Aradi
• [DFTB-Plus-User] Waveplot with xTB-GFN1   Alathea Davies
• [DFTB-Plus-User] Old/New Version of Modes Output   Gabriel Phun
  • [DFTB-Plus-User] Old/New Version of Modes Output   Benjamin Hourahine
    • [DFTB-Plus-User] Old/New Version of Modes Output   Gabriel Phun
• [DFTB-Plus-User] NPT Simulation and Cell volume   Jeongmin Park
  • [DFTB-Plus-User] NPT Simulation and Cell volume   Jeongmin Park
• [DFTB-Plus-User] seeking for skf file   键焓
• [DFTB-Plus-User] Increasing the distance between two atoms   Timothy Kennedy
• [DFTB-Plus-User] Information about the option "FillingsFromFile"   Filippo Balzaretti
  • [DFTB-Plus-User] Information about the option "FillingsFromFile"   Bálint Aradi
• [DFTB-Plus-User] Dipole moment for periodic and non periodic systems   Ariadni BOZIKI
  • [DFTB-Plus-User] Dipole moment for periodic and non periodic systems   Bálint Aradi
• [DFTB-Plus-User] Query regarding Time dependent TDDFT   Gautam Jha
  • [DFTB-Plus-User] Query regarding Time dependent TDDFT   Benjamin Hourahine
• [DFTB-Plus-User] Band_gap calculation in DFTB+   Achyut Subedi
  • [DFTB-Plus-User] Band_gap calculation in DFTB+   Thomas Niehaus
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 117, Issue 3   Achyut Subedi

Last message date: Tue May 7 18:12:11 CEST 2024
Archived on: Tue May 7 18:12:29 CEST 2024

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