August 2024 Archives by thread

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Starting: Thu Aug 1 11:14:14 CEST 2024
Ending: Sat Aug 31 00:44:31 CEST 2024
Messages: 101

• [QE-users] Relax calculation of organic molecule adsorbed on metal surface   Suraj P
• [QE-users] Problem with the matrix   wangzongyi at mail.ustc.edu.cn
• [QE-users] [SPAM] Re: GPU version gives different result from CPU version   Shimin ZHANG
• [QE-users] issue with fermi level value   Bhargab Kakati
• [QE-users] Help for compilation with Nvidia HPC SDK   Mauro Francesco Sgroi
  • [QE-users] Help for compilation with Nvidia HPC SDK   Fabrizio Ferrari Ruffino
    • [QE-users] Help for compilation with Nvidia HPC SDK   Mauro Francesco Sgroi
      • [QE-users] Help for compilation with Nvidia HPC SDK   Fabrizio Ferrari Ruffino
      • [QE-users] Help for compilation with Nvidia HPC SDK   Mauro Francesco Sgroi
• [QE-users] error reading input namelist -- d3hess.x   marco infantino
• [QE-users] GPU version gives different result from CPU version   Ivan Carnimeo
  • [QE-users] GPU version gives different result from CPU version   Ivan Carnimeo
• [QE-users] To the OneAPI MPI user   Kazume NISHIDATE
• [QE-users] Questions on obtaining Hubbard U and J by linear response   ZHANG Yichi
• [QE-users] Assistance Required for Memory Allocation Error in SCF Calculation   MOSES NTSIFUL
• [QE-users] Nickel slab not converging with SSSP efficiency.   Tom Demeyere
  • [QE-users] Nickel slab not converging with SSSP efficiency.   EDUARDO ARIEL MENENDEZ PROUPIN
  • [QE-users] Nickel slab not converging with SSSP efficiency.   Kazume NISHIDATE
• [QE-users] Puzzle in calculate bandstructure   wangzongyi at mail.ustc.edu.cn
  • [QE-users] Puzzle in calculate bandstructure   Vahid Askarpour
• [QE-users] [SPAM] Error in routine postproc (pp.x)   Suraj P
  • [QE-users] [SPAM] Re: Error in routine postproc (pp.x)   Paolo Giannozzi
• [QE-users] Silicon gap vs. temperature   David Fernandes Machado
  • [QE-users] Silicon gap vs. temperature   Md. Jahid Hasan Sagor
    • [QE-users] Silicon gap vs. temperature   David Fernandes Machado
• [QE-users] Error in Phonon calculation while considering DFT-D3 corrections   Sayandeep GHOSH
  • [QE-users] Error in Phonon calculation while considering DFT-D3 corrections   Ghosh, Prasenjit
  • [QE-users] Error in Phonon calculation while considering DFT-D3 corrections   Ivan Carnimeo
    • [QE-users] Error in Phonon calculation while considering DFT-D3 corrections   Ghosh, Prasenjit
      • [QE-users] [SPAM] Re: Error in Phonon calculation while considering DFT-D3 corrections   Husak Michal
• [QE-users] Phonon calculation with DFT-D3 correction   Sayandeep GHOSH
  • [QE-users] Phonon calculation with DFT-D3 correction   Ivan Carnimeo
• [QE-users] Band Gap Calculation at finite temperature in Large Band Gap Semiconductors using cp.x   Vinay Maithani
• [QE-users] Error during dielectric constant calculation with epsilon.x   Maria Francisca Coelho Queirós
  • [QE-users] Error during dielectric constant calculation with epsilon.x   Lorenzo Paulatto
    • [QE-users] Error during dielectric constant calculation with epsilon.x   Nicola Marzari
• [QE-users] DVSCF files reading in case of different systems/compilers   Kliavinek, Sergei
  • [QE-users] DVSCF files reading in case of different systems/compilers   Paolo Giannozzi
    • [QE-users] DVSCF files reading in case of different systems/compilers   Kliavinek, Sergei
• [QE-users] ELF calculation using USPP in QE 7.1 - reg   Nithish Sriram MKU-SCHOLAR
  • [QE-users] ELF calculation using USPP in QE 7.1 - reg   pboulet
  • [QE-users] ELF calculation using USPP in QE 7.1 - reg   Nithish Sriram MKU-SCHOLAR
• [QE-users] Restarting Interrupted SCF Calculations   wenusaras
  • [QE-users] Restarting Interrupted SCF Calculations   Ramesh Kumar Kamadurai
    • [QE-users] Restarting Interrupted SCF Calculations   Paolo Giannozzi
      • [QE-users] Restarting Interrupted SCF Calculations   Giuseppe Mattioli
• [QE-users] Problems with symmetry and accuracy thermo_pw calculation   aleksandr.doma at yahoo.com
• [QE-users] calculating Gibbs Free Energy   Melsa Rose Ducut
• [QE-users] Initial density and wfc guesses from a converged calculation with coarser k mesh   Yang Liu
  • [QE-users] Initial density and wfc guesses from a converged calculation with coarser k mesh   Omar Ashour
  • [QE-users] Initial density and wfc guesses from a converged calculation with coarser k mesh   Yang Liu
• [QE-users] Relaxation in silicon with a divacancy   David Fernandes Machado
  • [QE-users] Relaxation in silicon with a divacancy   Paolo Giannozzi
• [QE-users] [SPAM] Fourier Transform of Local Pseudopotential and G=0 limit   Erik.Schultheis at dlr.de
  • [QE-users] [SPAM] Re: Fourier Transform of Local Pseudopotential and G=0 limit   Paolo Giannozzi
    • [QE-users] [SPAM] AW: Fourier Transform of Local Pseudopotential and G=0 limit   Erik.Schultheis at dlr.de
      • [QE-users] [SPAM] Re: AW: Fourier Transform of Local Pseudopotential and G=0 limit   Paolo Giannozzi
• [QE-users] pool parallelism of unfold-x   박민규
• [QE-users] Force (energy) relaxation threshold for elastic & phonon calculation: your experience   aleksandr.doma at yahoo.com
• [QE-users] Relax calculation stops working without any error or CRASH file   Saiyed Tasnim Md Fahim
• [QE-users] Error while running convergence test on ecutwfc   Md. Jahid Hasan Sagor
• [QE-users] Help-Wrong classes for C_6v   Ho Viet Thang - Khoa Hoa
• [QE-users] ELF calculation using QE 7.1 - reg   Nithish Sriram MKU-SCHOLAR
• [QE-users] About Gridding Complex-Valued Wavefunctions for Spectroscopy Calculations   Barry (Yangtao) Li
  • [QE-users] About Gridding Complex-Valued Wavefunctions for Spectroscopy Calculations   Erik.Schultheis at dlr.de
  • [QE-users] About Gridding Complex-Valued Wavefunctions for Spectroscopy Calculations   Paolo Giannozzi
  • [QE-users] About Gridding Complex-Valued Wavefunctions for Spectroscopy Calculations   Lorenzo Paulatto
• [QE-users] S matrix not positive - MgH2 system   RAQUEL YANES RODRIGUEZ
  • [QE-users] S matrix not positive - MgH2 system   Paolo Giannozzi
• [QE-users] Error while using PWTK   NAIMI SALMA
  • [QE-users] Error while using PWTK   Matic Poberznik
• [QE-users] Properly linking Environ3.0 module to QE v7.0   Tucker Allen
  • [QE-users] Properly linking Environ3.0 module to QE v7.0   Paolo Giannozzi
• [QE-users] Wrong classes for C_6v   Ho Viet Thang - Khoa Hoa
  • [QE-users] Wrong classes for C_6v   Paolo Giannozzi
• [QE-users] Error with libmbd QE-7.3.1   Kevin Allen
  • [QE-users] Error with libmbd QE-7.3.1   Paolo Giannozzi
• [QE-users] Negative phonon frequency   Artur Durajski
• [QE-users] Error in routine spinor (1)   wangzongyi at mail.ustc.edu.cn
• [QE-users] Run PW/example10   Boyang Zheng
  • [QE-users] Run PW/example10   Paolo Giannozzi
    • [QE-users] Run PW/example10   Boyang Zheng
      • [QE-users] Run PW/example10   Lorenzo Bastonero
      • [QE-users] Run PW/example10   Boyang Zheng
• [QE-users] Pseudopotential to approximate a free electron?   Alex Kirkpatrick
  • [QE-users] Pseudopotential to approximate a free electron?   Lorenzo Paulatto
    • [QE-users] Pseudopotential to approximate a free electron?   Alex Kirkpatrick
      • [QE-users] Pseudopotential to approximate a free electron?   Lorenzo Paulatto
      • [QE-users] Pseudopotential to approximate a free electron?   Alex Kirkpatrick
      • [QE-users] Pseudopotential to approximate a free electron?   Lorenzo Paulatto
      • [QE-users] Pseudopotential to approximate a free electron?   Alex Kirkpatrick
      • [QE-users] Pseudopotential to approximate a free electron?   Stefano Baroni
• [QE-users] Fwd: Termination of magnetic calulations   Microsoft.com team
  • [QE-users] Fwd: Termination of magnetic calulations   Paolo Giannozzi
• [QE-users] Adsorption calculation using Quantum ESPRESSO   Akhil g.nair
  • [QE-users] Adsorption calculation using Quantum ESPRESSO   Lorenzo Paulatto
  • [QE-users] Adsorption calculation using Quantum ESPRESSO   Akhil g.nair
    • [QE-users] Adsorption calculation using Quantum ESPRESSO   Giovanni Cantele
      • [QE-users] Adsorption calculation using Quantum ESPRESSO   Guru Ji
      • [QE-users] Adsorption calculation using Quantum ESPRESSO   Akhil g.nair
      • [QE-users] Adsorption calculation using Quantum ESPRESSO   Kazume NISHIDATE

Last message date: Sat Aug 31 00:44:31 CEST 2024
Archived on: Sat Aug 31 00:44:24 CEST 2024

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