July 2018 Archives by thread

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Starting: Sun Jul 1 13:45:25 CEST 2018
Ending: Tue Jul 31 15:56:33 CEST 2018
Messages: 153

• [QE-users] DFT+U and surfaces -- convergence   Lorenzo Paulatto
  • [QE-users] DFT+U and surfaces -- convergence   Christoph Wolf
  • [QE-users] DFT+U and surfaces -- convergence   Cococcioni Matteo
    • [QE-users] DFT+U and surfaces -- convergence   Giuseppe Mattioli
• [QE-users] Inconsistency in pressure and energy in optimizing degauss   Sudip Kumar Mondal
• [QE-users] dipole correction - "saggy" electrostatic potential?   Christoph Wolf
  • [QE-users] dipole correction - "saggy" electrostatic potential?   Dr. Thomas Brumme
  • [QE-users] dipole correction - "saggy" electrostatic potential?   Dr. Thomas Brumme
    • [QE-users] dipole correction - "saggy" electrostatic potential?   Christoph Wolf
  • [QE-users] dipole correction - "saggy" electrostatic potential?   Paolo Giannozzi
• [QE-users] Two open positions for computational materials scientists/software scientists on data and services (THEOS, EPFL)   Giovanni Pizzi
• [QE-users] Behaviour of total force in vc-relax   Chandler Bennett
• [QE-users] Shifting of Fermi level by applying bi-axial strain   Rajneesh Chaurasiya
  • [QE-users] Shifting of Fermi level by applying bi-axial strain   Paolo Giannozzi
  • [QE-users] Shifting of Fermi level by applying bi-axial strain   Rajneesh Chaurasiya
    • [QE-users] Shifting of Fermi level by applying bi-axial strain   Lorenzo Paulatto
• [QE-users] problem computing cholesky   BARRETEAU Cyrille
  • [QE-users] problem computing cholesky   Paolo Giannozzi
  • [QE-users] problem computing cholesky   Christoph Wolf
    • [QE-users] problem computing cholesky   Will DeBenedetti
    • [QE-users] problem computing cholesky   BARRETEAU Cyrille
• [QE-users] wfck2r.x   Zahra Torbatian
  • [QE-users] wfck2r.x   Lorenzo Paulatto
    • [QE-users] wfck2r.x   Zahra Torbatian
• [QE-users] Error in routine postproc (17) :reading inputpp namelist   jibiaoli
  • [QE-users] Error in routine postproc (17) :reading inputpp namelist   Paolo Giannozzi
• [QE-users] Problem during compiling QE   Shoaib Muhammad
  • [QE-users] Problem during compiling QE   Paolo Giannozzi
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred"   Paolo Costa
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred"   Will DeBenedetti
    • [QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred"   Paolo Costa
• [QE-users] pw_export   Zahra Torbatian
  • [QE-users] pw_export   Andrea Ferretti
    • [QE-users] pw_export   Zahra Torbatian
      • [QE-users] pw_export   Andrea Ferretti
• [QE-users] Non zero polarization in un-distorted cubic KNbO3   Rajender Prasad Tiwari
  • [QE-users] Non zero polarization in un-distorted cubic KNbO3   Rajender Prasad Tiwari
• [QE-users] Sloution   Eloge MADILA
  • [QE-users] Sloution   Paolo Giannozzi
• [QE-users] Fwd: Tc for MgB2   Mohammad Moaddeli
  • [QE-users] Fwd: Tc for MgB2   Warren Pickett
• [QE-users] running non-soc calculation with a normcons FR PP is possible?   Christoph Wolf
• [QE-users] problem compiling qe-6.3   José Carlos Conesa
  • [QE-users] problem compiling qe-6.3   Paolo Giannozzi
    • [QE-users] problem compiling qe-6.3   Paolo Giannozzi
    • [QE-users] problem compiling qe-6.3   José Carlos Conesa
• [QE-users] Problems to run QE in parallel   Anibal Bezerra
  • [QE-users] Problems to run QE in parallel   Paolo Giannozzi
  • [QE-users] Problems to run QE in parallel   Anibal Bezerra
    • [QE-users] Problems to run QE in parallel   Paolo Giannozzi
• [QE-users] Can I calculate projection of the density of states (PDOS) in specified direction?   Andrey Chibisov
• [QE-users] Installing qe-6.3. Install directory PREFIX does not work   Dan Gil
  • [QE-users] Installing qe-6.3. Install directory PREFIX does not work   Paolo Giannozzi
    • [QE-users] Installing qe-6.3. Install directory PREFIX does not work   Paolo Giannozzi
      • [QE-users] Installing qe-6.3. Install directory PREFIX does not work   Dan Gil
      • [QE-users] Installing qe-6.3. Install directory PREFIX does not work   Paolo Giannozzi
      • [QE-users] Installing qe-6.3. Install directory PREFIX does not work   Dan Gil
      • [QE-users] Recover phonons frequencies from the eigenmodes   JAY Antoine
      • [QE-users] Recover phonons frequencies from the eigenmodes   Lorenzo Paulatto
      • [QE-users] ?==?utf-8?q? Recover phonons frequencies from the eigenmodes   JAY Antoine
      • [QE-users] ?==?utf-8?q? ?==?utf-8?q? ?= Recover phonons frequencies from the eigenmode   JAY Antoine
• [QE-users] Magnetic anisotropy energy in QE 6.3   Marcos Veríssimo Alves
  • [QE-users] Magnetic anisotropy energy in QE 6.3   Paolo Giannozzi
    • [QE-users] Magnetic anisotropy energy in QE 6.3   BARRETEAU Cyrille
      • [QE-users] Magnetic anisotropy energy in QE 6.3   Marcos Veríssimo Alves
      • [QE-users] Magnetic anisotropy energy in QE 6.3   BARRETEAU Cyrille
      • [QE-users] Magnetic anisotropy energy in QE 6.3   Marcos Veríssimo Alves
      • [QE-users] Magnetic anisotropy energy in QE 6.3   BARRETEAU Cyrille
      • [QE-users] Magnetic anisotropy energy in QE 6.3   Marcos Veríssimo Alves
• [QE-users] Problem in running magnetic force theorem example in QE 6.3   Marcos Veríssimo Alves
  • [QE-users] Problem in running magnetic force theorem example in QE 6.3   BARRETEAU Cyrille
    • [QE-users] Problem in running magnetic force theorem example in QE 6.3   Marcos Veríssimo Alves
• [QE-users] users Digest, Vol 132, Issue 11   halim said
  • [QE-users] users Digest, Vol 132, Issue 11   halim said
    • [QE-users] users Digest, Vol 132, Issue 11   halim said
• [QE-users] Restarting MD from VC-MD   Lance Kavalsky
• [QE-users] TDDFPT - EELS: restart generates NaNs   Levi Keller
  • [QE-users] TDDFPT - EELS: restart generates NaNs   Timrov Iurii
    • [QE-users] TDDFPT - EELS: restart generates NaNs   Timrov Iurii
• [QE-users] [QE-GPU] compilation error at installation   Yi-Ping Huang
  • [QE-users] [QE-GPU] compilation error at installation   pietro.bonfa at fis.unipr.it
• [QE-users] Problem in installing QE 6.3   桂伟
  • [QE-users] Problem in installing QE 6.3   Paolo Giannozzi
• [QE-users] lambda.x and electron-phonon coupling in MgB2   Mohammad Moaddeli
• [QE-users] Problem with constraint optimisation routine   Sourav Mondal
• [QE-users] QEGPU Problem   Mohammadreza Hosseini
  • [QE-users] QEGPU Problem   Mohammadreza Hosseini
• [QE-users] ?= Recover phonons frequencies from the eigenmode   Lorenzo Paulatto
• [QE-users] Xanes M1 spectra   Malte Sachs
• [QE-users] Using charge density from previous calculation as starting point for different k-point grid   Marcos Veríssimo Alves
  • [QE-users] Using charge density from previous calculation as starting point for different k-point grid   Paolo Giannozzi
• [QE-users] Magnetic moment per site   Joaquim Jornet Somoza
• [QE-users] Problem in fixing selected atomic positions in "vc-relax" calculation   Shoaib Muhammad
• [QE-users] Tetragonal vc-relax, is breaking the symmetry   Lucas Nicolás Lodeiro Moraga
  • [QE-users] Tetragonal vc-relax, is breaking the symmetry   Lorenzo Paulatto
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Differences in the angular momentum projection (fat-bands): US/PAW/NC   Christoph Wolf
• [QE-users] Regarding Vacuum level   mohaddeseh abbasnejad
• [QE-users] AFM configuration in Quantum Espresso   Ruchika Mahajan
  • [QE-users] AFM configuration in Quantum Espresso   Rita Maji
    • [QE-users] AFM configuration in Quantum Espresso   Lorenzo Paulatto
• [QE-users] Error regarding dvscf file generation in pH.x calculation   Anindya Bose
  • [QE-users] Error regarding dvscf file generation in pH.x calculation   Anindya Bose
• [QE-users] Point group symmetry error   Anindya Bose
• [QE-users] (no subject)   Priyanka Makkar
• [QE-users] Error related to point group symmetry   Anindya Bose
  • [QE-users] Error related to point group symmetry   Anindya Bose
    • [QE-users] Error related to point group symmetry   Stefano Baroni
      • [QE-users] Error related to point group symmetry   Anindya Bose
      • [QE-users] Error related to point group symmetry   Pietro Delugas
• [QE-users] Dipole correction- plot   Paolo Costa
  • [QE-users] Dipole correction- plot   Manjusha Chugh
    • [QE-users] Dipole correction- plot   Paolo Costa
• [QE-users] Applying ESM with field makes no difference   jibiaoli
  • [QE-users] Applying ESM with field makes no difference   jibiaoli
    • [QE-users] Applying ESM with field makes no difference   大谷実
• [QE-users] qexml   Zahra Torbatian
  • [QE-users] qexml   Pietro Delugas
    • [QE-users] qexml   Zahra Torbatian
      • [QE-users] qexml   Stefano Baroni
      • [QE-users] qexml   Zahra Torbatian
• [QE-users] Questions on Applying Pressure in VC-MD Simulations   Nam Tran
• [QE-users] Chemical potential   Roman Voronkov
• [QE-users] PAW Pesudo Problems with Molecular Dynamics (cp.x)   Nam Tran
  • [QE-users] PAW Pesudo Problems with Molecular Dynamics (cp.x)   Marzari Nicola
    • [QE-users] PAW Pesudo Problems with Molecular Dynamics (cp.x)   Nam Tran
• [QE-users] Adsorption studies   Paolo Costa
  • [QE-users] Adsorption studies   Paolo Costa
    • [QE-users] Adsorption studies   Hande Toffoli
      • [QE-users] Adsorption studies   Paolo Costa
      • [QE-users] Adsorption studies   Hande Toffoli
      • [QE-users] Adsorption studies   Lorenzo Paulatto
• [QE-users] Adsorption energy studies   Paolo Costa
  • [QE-users] Adsorption energy studies   Giovanni Cantele
    • [QE-users] Adsorption energy studies   Paolo Costa
      • [QE-users] Adsorption energy studies   Giovanni Cantele
      • [QE-users] Adsorption energy studies   Paolo Costa
• [QE-users] Got Different fermi energy from qe as compared to published result (vasp)   Priya Shrivastava
  • [QE-users] Got Different fermi energy from qe as compared to published result (vasp)   Aurab Chakrabarty
• [QE-users] Band structure plot with high symmetry points   arunava.kar at saha.ac.in
• [QE-users] [SUSPECT ATTACHMENT REMOVED] QE/GIPAW different results with input file in bohr or angstrom   Paruzzo Federico Maria
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] QE/GIPAW different results with input file in bohr or angstrom   Paruzzo Federico Maria
• [QE-users] File .wfc1 is not generated by scf run   Martina Lessio
  • [QE-users] File .wfc1 is not generated by scf run   Lorenzo Paulatto
    • [QE-users] File .wfc1 is not generated by scf run   Martina Lessio
      • [QE-users] File .wfc1 is not generated by scf run   Pietro Delugas
      • [QE-users] File .wfc1 is not generated by scf run   Martina Lessio
• [QE-users] starting charge on atomic type 'i'   Andrey Chibisov
• [QE-users] Projected bulk band structure - how to?   Christoph Wolf
• [QE-users] how to calculate with QHA on quantum espresso 6.3 when I made the calculations (Run Me) all the empty output plug   mahrouche fay�al
• [QE-users] Using Bands.x for quantum espresso version 6.3   Iftikhar Ahmad Niaz
• [QE-users] Problem with compiling thermo_pw (with QE 6.3)   Christoph Wolf
  • [QE-users] Problem with compiling thermo_pw (with QE 6.3)   Pietro Delugas
  • [QE-users] Problem with compiling thermo_pw (with QE 6.3)   Andrea Dal Corso

Last message date: Tue Jul 31 15:56:33 CEST 2018
Archived on: Tue Jul 31 15:56:35 CEST 2018

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