November 2022 Archives by thread

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Starting: Tue Nov 1 05:55:06 CET 2022
Ending: Wed Nov 30 21:19:52 CET 2022
Messages: 151

• [QE-users] Pseudopotentials for magnetized computations   Johnson, Miles R.
  • [QE-users] Pseudopotentials for magnetized computations   MARRAZZO ANTIMO
  • [QE-users] Pseudopotentials for magnetized computations   MARRAZZO ANTIMO
• [QE-users] error compiling QE: gen_us_dj_gpu.f90, "Cannot open module file 'device_fbuff_m.mod' "   dlduran at uco.es
  • [QE-users] error compiling QE: gen_us_dj_gpu.f90, "Cannot open module file 'device_fbuff_m.mod' "   Paolo Giannozzi
• [QE-users] open_grid for epsilon.x   Lorenzo Paulatto
• [QE-users] error with virtual_v2.x   Lorenzo Paulatto
  • [QE-users] Again Fatal error in PMPI_Comm_free   Michal Husak
    • [QE-users] Again Fatal error in PMPI_Comm_free   Yang Liu
      • [QE-users] Again Fatal error in PMPI_Comm_free   Paolo Giannozzi
    • [QE-users] Again Fatal error in PMPI_Comm_free   Yang Liu
      • [QE-users] Again Fatal error in PMPI_Comm_free   Paolo Giannozzi
      • [QE-users] Again Fatal error in PMPI_Comm_free   Yang Liu
      • [QE-users] Again Fatal error in PMPI_Comm_free   Paolo Giannozzi
      • [QE-users] Again Fatal error in PMPI_Comm_free   Yang Liu
• [QE-users] users Digest, Vol 184, Issue 3   Yang Liu
• [QE-users] International Green Technology Competition by Materials Square   Dr.Mosab Banisalman
• [QE-users] oscillations in G(V) diagrams   Jakob Kraus
  • [QE-users] oscillations in G(V) diagrams   Lorenzo Bastonero
  • [QE-users] oscillations in G(V) diagrams   Lorenzo Paulatto
• [QE-users] No or band convergence for WS2 bilayer   Giovanni Cantele
• [QE-users] Regarding antiferromagnetic state energy calculation   DHILSHADA V.N.
  • [QE-users] Regarding antiferromagnetic state energy calculation   Giuseppe Mattioli
• [QE-users] SG15 Norm-Conserving Pseudopotentials: need a scalar relativistic NCPP for Hg with wavefunctions for projections   alpin novianus
• [QE-users] oscillations in G(V) diagram   Jakob Kraus
  • [QE-users] oscillations in G(V) diagram   Lorenzo Paulatto
• [QE-users] Comparison of k_points for two different inputs of BCC structure   KRISHNENDU MUKHERJEE
• [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth   Jayraj Anadani
  • [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth   Kazume NISHIDATE
    • [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth   Jayraj Anadani
      • [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth   Kazume NISHIDATE
      • [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth   Jayraj Anadani
  • [QE-users] CPMD simualtion of metallic alloys upto 4 ps but RDF g(r) is not getting smooth   KRISHNENDU MUKHERJEE
• [QE-users] nscf with Hubbard   Aleksandra Oranskaia
  • [QE-users] nscf with Hubbard   Paolo Giannozzi
• [QE-users] energy increase in nvt aimd simulation   naval singh
  • [QE-users] energy increase in nvt aimd simulation   Lorenzo Paulatto
    • [QE-users] energy increase in nvt aimd simulation   naval singh
• [QE-users] The pencil decomposition option   Elio Physics
  • [QE-users] The pencil decomposition option   Lorenzo Bastonero
    • [QE-users] The pencil decomposition option   Elio Physics
  • [QE-users] The pencil decomposition option   Paolo Giannozzi
    • [QE-users] The pencil decomposition option   Elio Physics
• [QE-users] LDA+U with Spin Orbit coupling in VC-RELAX. Are forces computed?   Sifuna James
  • [QE-users] LDA+U with Spin Orbit coupling in VC-RELAX. Are forces computed?   Matteo Cococcioni
• [QE-users] Role of alpha_mix flag in electron-phonon calculations   Prarena Jamwal
• [QE-users] [Webinar] Extracting Bonds from Bands: COHP and other Chemical-Bonding Tools via LOBSTER   Dr.Mosab Banisalman
• [QE-users] Dielectric constant calculations   Meysam Pazoki
• [QE-users] Erro while restarting a relax calculation file   ARKA PRAVA SARKAR
• [QE-users] CUDA errors   Christopher Moltisanti
  • [QE-users] CUDA errors   Paolo Giannozzi
• [QE-users] Strange error for one q-point in ph.x in subroutine set_irr_sym.f90   Holzwarth, Natalie
• [QE-users] QE installation error in version 7.1   Jibiao Li
  • [QE-users] QE installation error in version 7.1   pdelugas at sissa.it
• [QE-users] QE 7.1 compilation error   Jibiao Li
  • [QE-users] QE 7.1 compilation error   Paolo Giannozzi
• [QE-users] Compile QE 6.8   Riccardo Piombo uniroma1
  • [QE-users] Compile QE 6.8   Lorenzo Paulatto
    • [QE-users] Compile QE 6.8   Paolo Giannozzi
      • [QE-users] Compile QE 6.8   Riccardo Piombo uniroma1
      • [QE-users] Compile QE 6.8   Fabrizio Ferrari Ruffino
      • [QE-users] Compile QE 6.8   Paolo Giannozzi
  • [QE-users] Compile QE 6.8   Fabrizio Ferrari Ruffino
• [QE-users] increasing system size for AIMD   naval singh
• [QE-users] Why I can not reproduce ferromagnetic fcc Ni in QE 7.1   Jibiao Li
  • [QE-users] R: Why I can not reproduce ferromagnetic fcc Ni in QE 7.1   Pietro Davide Delugas
    • [QE-users] R: Why I can not reproduce ferromagnetic fcc Ni in QE 7.1   Ramesh Kumar Kamadurai
• [QE-users] Is it possible to use different input_dft for different types of atoms   Jibiao Li
  • [QE-users] Is it possible to use different input_dft for different types of atoms   Lorenzo Paulatto
    • [QE-users] Is it possible to use different input_dft for different types of atoms   Abdeslam Houari
      • [QE-users] Is it possible to use different input_dft for different types of atoms   Lorenzo Paulatto
      • [QE-users] Is it possible to use different input_dft for different types of atoms   Paolo Giannozzi
  • [QE-users] Is it possible to use different input_dft for different types of atoms   Giuseppe Mattioli
• [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value   Mahmoud Payami Shabestari
  • [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value   Kazume NISHIDATE
    • [QE-users] ERROR(FoX) xml_AddAttribute: Invalid character in value   Mahmoud Payami Shabestari
• [QE-users] Interpretting projwfc.x output   Johnson, Miles R.
  • [QE-users] Interpretting projwfc.x output   Paolo Giannozzi
    • [QE-users] Interpretting projwfc.x output   Johnson, Miles R.
      • [QE-users] Interpretting projwfc.x output   Johnson, Miles R.
• [QE-users] Why do I get multiple imaginary frequencies using nat-todo in QE 6.4   Yang-Caiyu
• [QE-users] Help   osawlo safi
• [QE-users] hybrid fucntionals with any DFT one   Abdeslam Houari
  • [QE-users] hybrid fucntionals with any DFT one   Giuseppe Mattioli
• [QE-users] ERROR: Compiling under Intel oneAPI   chamaran at uom.lk
  • [QE-users] ERROR: Compiling under Intel oneAPI   chamaran at uom.lk
    • [QE-users] ERROR: Compiling under Intel oneAPI   Jibiao Li
      • [QE-users] ERROR: Compiling under Intel oneAPI   chamaran at uom.lk
    • [QE-users] ERROR: Compiling under Intel oneAPI   Paolo Giannozzi
      • [QE-users] ERROR: Compiling under Intel oneAPI   chamaran at uom.lk
• [QE-users] How to construct the input for multi-structural material ?   Impact Group
  • [QE-users] How to construct the input for multi-structural material ?   Impact Group
    • [QE-users] How to construct the input for multi-structural material ?   Paolo Giannozzi
• [QE-users] SCF calculation with no convergence   BRUNA NÁDIA NEVES DA SILVA
  • [QE-users] SCF calculation with no convergence   Josue Itsman Clavijo Penagos
  • [QE-users] SCF calculation with no convergence   Marcelo Falcão de Oliveira
  • [QE-users] SCF calculation with no convergence   BRUNA NÁDIA NEVES DA SILVA
• [QE-users] Problem with file   Md. Jahid Hasan Sagor
• [QE-users] Installation Help   Md. Jahid Hasan Sagor
  • [QE-users] Installation Help   chamaran at uom.lk
    • [QE-users] Installation Help   Md. Jahid Hasan Sagor
      • [QE-users] Installation Help   Zack Gainsforth
• [QE-users] conflicting values for igcx   Levin Rojas, Natalia
  • [QE-users] conflicting values for igcx   Fabrizio Ferrari Ruffino
  • [QE-users] conflicting values for igcx   Stefano de Gironcoli
• [QE-users] BAD TERMINATION after relax calculation (QE 6.8)   Léo Gaspard
• [QE-users] BOMD results   naval singh
• [QE-users] [Extended] International Green Technology Competition by Materials Square   Dr.Mosab Banisalman
• [QE-users] Parallelization and Input/Output of wfc in QE   Riccardo Piombo uniroma1
  • [QE-users] Parallelization and Input/Output of wfc in QE   Paolo Giannozzi
  • [QE-users] Parallelization and Input/Output of wfc in QE   Riccardo Piombo uniroma1
    • [QE-users] Parallelization and Input/Output of wfc in QE   Davide Ceresoli
      • [QE-users] Parallelization and Input/Output of wfc in QE   Riccardo Piombo uniroma1
      • [QE-users] Parallelization and Input/Output of wfc in QE   Paolo Giannozzi
      • [QE-users] Parallelization and Input/Output of wfc in QE   Riccardo Piombo uniroma1
      • [QE-users] Parallelization and Input/Output of wfc in QE   Paolo Giannozzi
  • [QE-users] Parallelization and Input/Output of wfc in QE   KRISHNENDU MUKHERJEE
    • [QE-users] Parallelization and Input/Output of wfc in QE   Stefano Baroni
    • [QE-users] Parallelization and Input/Output of wfc in QE   Pietro Bonfa'
  • [QE-users] Parallelization and Input/Output of wfc in QE   KRISHNENDU MUKHERJEE
• [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Vivekanand Shukla
  • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Iurii TIMROV
    • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Vivekanand Shukla
      • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Iurii TIMROV
      • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Thomas Brumme
      • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Kazume NISHIDATE
      • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Iurii TIMROV
      • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Vivekanand Shukla
      • [QE-users] Problem in vc-relax calculation with Hubbard U in magnetic system   Iurii TIMROV
• [QE-users] high-temperature vc-md   Aleksandra Oranskaia
  • [QE-users] high-temperature vc-md   Kazume NISHIDATE
• [QE-users] No IR vibrational peak   홍장희
  • [QE-users] No IR vibrational peak   Lorenzo Paulatto
  • [QE-users] No IR vibrational peak   홍장희
    • [QE-users] No IR vibrational peak   Paolo Giannozzi
• [QE-users] scf convergency depends on the number of mpi processes !!!   Mahmoud Payami Shabestari
  • [QE-users] scf convergency depends on the number of mpi processes !!!   Takahiro Chiba
    • [QE-users] scf convergency depends on the number of mpi processes !!!   Mahmoud Payami Shabestari
  • [QE-users] scf convergency depends on the number of mpi processes !!!   Paolo Giannozzi
    • [QE-users] scf convergency depends on the number of mpi processes !!!   Mahmoud Payami Shabestari
      • [QE-users] scf convergency depends on the number of mpi processes !!!   Paolo Giannozzi
      • [QE-users] scf convergency depends on the number of mpi processes !!!   Mahmoud Payami Shabestari
• [QE-users] PAW basis sets for the actinoids   Malte Sachs
• [QE-users] SIGSEGV with 7.1 but not 7.0   Johnson, Miles R.
  • [QE-users] SIGSEGV with 7.1 but not 7.0   Paolo Giannozzi
    • [QE-users] SIGSEGV with 7.1 but not 7.0   Paolo Giannozzi
• [QE-users] hp.x : Error in routine hp_readin (1):   PURINUT SAE-FU
  • [QE-users] hp.x : Error in routine hp_readin (1):   Iurii TIMROV
• [QE-users] [SPAM] state surface   I.bezzaoui
• [QE-users] Last SCF step of a vc-relax job in DFT+U   Mahmoud Payami Shabestari
  • [QE-users] Last SCF step of a vc-relax job in DFT+U   Mahmoud Payami Shabestari

Last message date: Wed Nov 30 21:19:52 CET 2022
Archived on: Wed Nov 30 21:18:56 CET 2022

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