May 2023 Archives by thread

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Starting: Tue May 2 08:01:30 CEST 2023
Ending: Wed May 31 21:16:44 CEST 2023
Messages: 65

• [Wien] Supercell calculation with DFT+U potential   Murat Aycibin
  • [Wien] Supercell calculation with DFT+U potential   Peter Blaha
• [Wien] Convergence Problem   Hülya Gürçay
  • [Wien] Convergence Problem   Peter Blaha
• [Wien] same k vector, different eigenvectors   曹迎迎
• [Wien] Issue in initialization   Peter Blaha
• [Wien] Regarding installation of software   Neetu Malik
  • [Wien] Regarding installation of software   Laurence Marks
• [Wien] Transition probabilities and broadening   Luigi Maduro
  • [Wien] Transition probabilities and broadening   Peter Blaha
• [Wien] Treatment of E^3 in xspec   Weinhardt, Lothar (IPS)
  • [Wien] Treatment of E^3 in xspec   Peter Blaha
• [Wien] Regarding the wien2k scf calculation initialization.   chethanv Research Scholar
  • [Wien] Regarding the wien2k scf calculation initialization.   Peter Blaha
  • [Wien] Regarding the wien2k scf calculation initialization.   chethanv Research Scholar
    • [Wien] Regarding the wien2k scf calculation initialization.   Laurence Marks
    • [Wien] Regarding the wien2k scf calculation initialization.   chethanv Research Scholar
      • [Wien] Regarding the wien2k scf calculation initialization.   Laurence Marks
      • [Wien] Regarding the wien2k scf calculation initialization.   chethanv Research Scholar
      • [Wien] Regarding the wien2k scf calculation initialization.   Peter Blaha
• [Wien] APW+lo orbitals   delamora
  • [Wien] APW+lo orbitals   Peter Blaha
• [Wien] issue in initialising calculation   Neetu Malik
  • [Wien] issue in initialising calculation   Laurence Marks
• [Wien] problem in uploading cif file   Neetu Malik
  • [Wien] problem in uploading cif file   Gavin Abo
    • [Wien] problem in uploading cif file   Neetu Malik
• [Wien] Volume optimisation   Neetu Malik
  • [Wien] Volume optimisation   Neetu Malik
    • [Wien] Volume optimisation   Peter Blaha
  • [Wien] Volume optimisation   Peter Blaha
• [Wien] DFT+U supercell calculation   Murat Aycibin
  • [Wien] DFT+U supercell calculation   Peter Blaha
• [Wien] not able to cal densities using xcrysden   Neetu Malik
  • [Wien] not able to cal densities using xcrysden   Peter Blaha
• [Wien] regarding wien2k initialization issue   Burhan Ahmed
  • [Wien] regarding wien2k initialization issue   Peter Blaha
• [Wien] [SPAM?] Supercell/surface construction   Burhan Ahmed
  • [Wien] [SPAM?] Supercell/surface construction   Peter Blaha
• [Wien] Hello, Can we calculate IR and Raman frequencies using wien2k. If yes Please guide how?   Neetu Malik
  • [Wien] Hello, Can we calculate IR and Raman frequencies using wien2k. If yes Please guide how?   Peter Blaha
• [Wien] SCAN+U in k parallel using Wien2k 21.1   Park, Ken
  • [Wien] SCAN+U in k parallel using Wien2k 21.1   Peter Blaha
• [Wien] relinking the code, keeping compiled object files   Ilias Miroslav, doc. RNDr., PhD.
  • [Wien] relinking the code, keeping compiled object files   Gavin Abo
  • [Wien] relinking the code, keeping compiled object files   Gavin Abo
    • [Wien] relinking the code, keeping compiled object files   Peter Blaha
      • [Wien] relinking the code, keeping compiled object files   Gavin Abo
  • [Wien] relinking the code, keeping compiled object files   Ilias Miroslav, doc. RNDr., PhD.
    • [Wien] relinking the code, keeping compiled object files   Laurence Marks
    • [Wien] how to completely erase w2web setting ?   Ilias Miroslav, doc. RNDr., PhD.
      • [Wien] how to completely erase w2web setting ?   Yundi Quan
      • [Wien] how to completely erase w2web setting ?   Laurence Marks
      • [Wien] how to completely erase w2web setting ?   Peter Blaha
    • [Wien] relinking the code, keeping compiled object files   Ilias Miroslav, doc. RNDr., PhD.
      • [Wien] relinking the code, keeping compiled object files   Laurence Marks
      • [Wien] relinking the code, keeping compiled object files   Peter Blaha
    • [Wien] relinking the code, keeping compiled object files   Ilias Miroslav, doc. RNDr., PhD.
      • [Wien] relinking the code, keeping compiled object files   Peter Blaha
• [Wien] Installation of wien2k in compact clusters.   Burhan Ahmed
  • [Wien] Installation of wien2k in compact clusters.   Gavin Abo
    • [Wien] Installation of wien2k in compact clusters.   Gavin Abo
• [Wien] NMR calculations with f-block elements: lapw1 crash   Arkadii Pominov
  • [Wien] NMR calculations with f-block elements: lapw1 crash   Peter Blaha
• [Wien] dispersion correction for superheavy elements in Wien2k ?   Ilias Miroslav, doc. RNDr., PhD.

Last message date: Wed May 31 21:16:44 CEST 2023
Archived on: Wed May 31 21:16:59 CEST 2023

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