October 2024 Archives by thread

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Starting: Tue Oct 1 08:30:14 CEST 2024
Ending: Thu Oct 31 16:25:31 CET 2024
Messages: 80

• [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   ROBERT MIKHAIL GUZMAN ARELLANO
  • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Timrov Iurii
  • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Lorenzo Bastonero
    • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   ROBERT MIKHAIL GUZMAN ARELLANO
      • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Timrov Iurii
• [QE-users] [SPAM] How to change spin-orbit coupling strength   박기명
• [QE-users] Gw assisted relaxation calculation   Johnson, Miles R.
  • [QE-users] Gw assisted relaxation calculation   Giuseppe Mattioli
• [QE-users] Bugs in cp.x from QE 7.2 affecting stresses calculated with US pseudos and CG   RABONE Jeremy
• [QE-users] ESM error   Tanay Sahu
  • [QE-users] ESM error   Minoru Otani
• [QE-users] Problem occurred in test-suite after build.   이건우
  • [QE-users] Problem occurred in test-suite after build.   Paolo Giannozzi
  • [QE-users] Problem occurred in test-suite after build.   Lorenzo Paulatto
    • [QE-users] Problem occurred in test-suite after build.   이건우
• [QE-users] [Difficulty non-collinear magnetic order convergence]   박기명
• [QE-users] Question about Superconducting Properties using lambda.x   Manish Kumar
  • [QE-users] Question about Superconducting Properties using lambda.x   Manish Kumar
• [QE-users] Questios about vc-relax in DFT U+V   ROBERT MIKHAIL GUZMAN ARELLANO
  • [QE-users] Questios about vc-relax in DFT U+V   Timrov Iurii
• [QE-users] The orbitals of a hydrogen atom   toshi1higu at docomo.ne.jp
  • [QE-users] The orbitals of a hydrogen atom   ROBERT MIKHAIL GUZMAN ARELLANO
    • [QE-users] The orbitals of a hydrogen atom   toshi1higu at docomo.ne.jp
      • [QE-users] The orbitals of a hydrogen atom   Pietro Davide Delugas
      • [QE-users] The orbitals of a hydrogen atom   toshi1higu at docomo.ne.jp
      • [QE-users] The orbitals of a hydrogen atom   Paolo Giannozzi
      • [QE-users] The orbitals of a hydrogen atom   Kazume NISHIDATE
      • [QE-users] The orbitals of a hydrogen atom   toshi1higu at docomo.ne.jp
      • [QE-users] The orbitals of a hydrogen atom   Paolo Giannozzi
      • [QE-users] The orbitals of a hydrogen atom   toshi1higu at docomo.ne.jp
  • [QE-users] The orbitals of a hydrogen atom   Lorenzo Paulatto
• [QE-users] Example of ESM-RISM do not work with gnu-QE installation but with oneapi-intel-QE works.   ROBERT MIKHAIL GUZMAN ARELLANO
  • [QE-users] Example of ESM-RISM do not work with gnu-QE installation but with oneapi-intel-QE works.   Paolo Giannozzi
• [QE-users] Reduced mass?   Andrii Shyichuk
  • [QE-users] Reduced mass?   Pietro Davide Delugas
    • [QE-users] Reduced mass?   Andrii Shyichuk
• [QE-users] epw.x has not been installed.   이건우
  • [QE-users] epw.x has not been installed.   Paolo Giannozzi
• [QE-users] users Digest, Vol 207, Issue 11   toshi1higu at docomo.ne.jp
  • [QE-users] users Digest, Vol 207, Issue 11   Kazume NISHIDATE
    • [QE-users] users Digest, Vol 207, Issue 11   toshi1higu at docomo.ne.jp
• [QE-users] {Disarmed} projwfc namelist error   Ben Gade
  • [QE-users] {Disarmed} projwfc namelist error   Paolo Giannozzi
• [QE-users] Large time lag post software upgradation in HPC system   Niharika Joshi
  • [QE-users] Large time lag post software upgradation in HPC system   Pietro Davide Delugas
    • [QE-users] Large time lag post software upgradation in HPC system   Niharika Joshi
• [QE-users] Assistance with Plotting Individual Spin Channels of Molecular Orbitals in Transition Metal-Porphyrin System   Prem Prakash Sahu
  • [QE-users] Assistance with Plotting Individual Spin Channels of Molecular Orbitals in Transition Metal-Porphyrin System   Giovanni Cantele
• [QE-users] Why does the dipole correction fail?   宋克楠
  • [QE-users] Why does the dipole correction fail?   Giovanni Cantele
• [QE-users] Convergence in respect to wfc and rho cutoffs   Andrii Shyichuk
• [QE-users] To calculate the formation energy of substitutional metal dopant in a system with metal vacancy - reg   Nithish Sriram MKU-SCHOLAR
• [QE-users] How to find magnitude of k (wave vector) in hexagonal lattice cell(graphene)?   Md. Jahid Hasan Sagor
  • [QE-users] How to find magnitude of k (wave vector) in hexagonal lattice cell(graphene)?   Giovanni Cantele
• [QE-users] Where to get HGH-NLCC pseudopotential?   yike.huang
  • [QE-users] Where to get HGH-NLCC pseudopotential?   Nicola Marzari
    • [QE-users] Where to get HGH-NLCC pseudopotential?   yike.huang
    • [QE-users] Where to get HGH-NLCC pseudopotential?   Pietro Davide Delugas
    • [QE-users] Where to get HGH-NLCC pseudopotential?   yike.huang at aliyun.com
  • [QE-users] Where to get HGH-NLCC pseudopotential?   yike.huang at aliyun.com
    • [QE-users] Where to get HGH-NLCC pseudopotential?   Krack Matthias
• [QE-users] inquiry about gaussian broadening in xspectra.x   Ishiyama,Takahisa_石山 貴久
• [QE-users] [QE-GPU] GPU runs significantly slower than CPU runs.   Dyer, Brock
  • [QE-users] [QE-GPU] GPU runs significantly slower than CPU runs.   Paolo Giannozzi
    • [QE-users] [QE-GPU] GPU runs significantly slower than CPU runs.   Dyer, Brock
      • [QE-users] [QE-GPU] GPU runs significantly slower than CPU runs.   Paolo Giannozzi
• [QE-users] Supercell Relaxation for Perovskite compound   Hüseyin Yasin Uzunok
  • [QE-users] Supercell Relaxation for Perovskite compound   Giovanni Cantele
• [QE-users] pp.x does not appear to recognize all atoms in the cell   Vahid Askarpour
  • [QE-users] pp.x does not appear to recognize all atoms in the cell   Paolo Giannozzi
    • [QE-users] pp.x does not appear to recognize all atoms in the cell   Vahid Askarpour
• [QE-users] Question about the relations between Raman activities and Raman intensities dynmat.x   Thermo Boltzmann
• [QE-users] Wrong phonon dispersion (Au) along X-K direction   Md. Jahid Hasan Sagor
  • [QE-users] Wrong phonon dispersion (Au) along X-K direction   Md. Jahid Hasan Sagor
    • [QE-users] Wrong phonon dispersion (Au) along X-K direction   Lorenzo Paulatto
      • [QE-users] Wrong phonon dispersion (Au) along X-K direction   Lorenzo Paulatto
      • [QE-users] Wrong phonon dispersion (Au) along X-K direction   Md. Jahid Hasan Sagor
  • [QE-users] Wrong phonon dispersion (Au) along X-K direction   Stefano de Gironcoli
• [QE-users] magnetic structure has larger periodicity than crystal structure   Johnson, Miles R.
  • [QE-users] magnetic structure has larger periodicity than crystal structure   Abdesalem Houari

Last message date: Thu Oct 31 16:25:31 CET 2024
Archived on: Thu Oct 31 16:24:20 CET 2024

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