September 2014 Archives by thread

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Starting: Mon Sep 1 01:15:12 CEST 2014
Ending: Tue Sep 30 19:01:44 CEST 2014
Messages: 227

• [Pw_forum] How to show more digits in the results?   Haibei Huang
  • [Pw_forum] How to show more digits in the results?   Axel Kohlmeyer
    • [Pw_forum] How to show more digits in the results?   Haibei Huang
    • [Pw_forum] How to show more digits in the results?   Mike Marchywka
      • [Pw_forum] How to show more digits in the results?   Axel Kohlmeyer
  • [Pw_forum] How to show more digits in the results?   xiaochuan Ge
    • [Pw_forum] How to show more digits in the results?   Haibei Huang
• [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   ankit jain
  • [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   Vincenzo Verdolino
    • [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   ankit jain
• [Pw_forum] running PWSCF on IB-based cluster   高星
• [Pw_forum] quarey regarding bandgap   Neeraj Goel
• [Pw_forum] BOMD simulations   Paolo Giannozzi
• [Pw_forum] Jobs can't finish with the tag of vdw_corr   Giovanni La Penna
  • [Pw_forum] Jobs can't finish with the tag of vdw_corr   Paolo Giannozzi
• [Pw_forum] pw2wannier USPP + spin orbit project status   Sclauzero Gabriele
• [Pw_forum] convergence problem of FePc molecule   琨陶
  • [Pw_forum] convergence problem of FePc molecule   Thomas Brumme
    • [Pw_forum] convergence problem of FePc molecule   琨陶
      • [Pw_forum] convergence problem of FePc molecule   Thomas Brumme
  • [Pw_forum] convergence problem of FePc molecule   Ari P Seitsonen
  • [Pw_forum] convergence problem of FePc molecule   Vincenzo Verdolino
    • [Pw_forum] convergence problem of FePc molecule   Paolo Giannozzi
  • [Pw_forum] convergence problem of FePc molecule   Pang Rui
• [Pw_forum] Polarization for electric field calculation   Nossa, Javier
• [Pw_forum] convert to cif file   奥野幸洋
  • [Pw_forum] convert to cif file   Éric Germaneau
    • [Pw_forum] convert to cif file   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Raman Spectra using fully relativistic pseudopotential   Chowdhury, Sugata
• [Pw_forum] regarding 'nscf' calculation   kulwinder kaur
  • [Pw_forum] regarding 'nscf' calculation   Paolo Giannozzi
    • [Pw_forum] regarding 'nscf' calculation   fateme hooshmand
      • [Pw_forum] regarding 'nscf' calculation   Lorenzo Paulatto
      • [Pw_forum] regarding 'nscf' calculation   fateme hooshmand
• [Pw_forum] LO-TO splitting in molecules   Mayank Gupta
  • [Pw_forum] LO-TO splitting in molecules   xirainbow
  • [Pw_forum] is there a way to convert a 'PRIMVEC' block (from xcrysden) into 'celldm' understood by QE   Hans Horn
    • [Pw_forum] is there a way to convert a 'PRIMVEC' block (from xcrysden) into 'celldm' understood by QE   Paolo Giannozzi
      • [Pw_forum] is there a way to convert a 'PRIMVEC' block (from xcrysden) into 'celldm' understood by QE   Tone Kokalj
      • [Pw_forum] is there a way to convert a 'PRIMVEC' block (from xcrysden) into 'celldm' understood by QE   Paolo Giannozzi
      • [Pw_forum] is there a way to convert a 'PRIMVEC' block (from xcrysden) into 'celldm' understood by QE   Hans Horn
• [Pw_forum] Non-orthogonal modes with dynmat.x at gamma point   Suza W
• [Pw_forum] Questions about ferromagnetic superconductivity   flying_lw at yeah.net
• [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Mauro Sgroi
  • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Filippo Spiga
    • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Mauro Sgroi
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Filippo Spiga
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Mauro Sgroi
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Filippo Spiga
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Axel Kohlmeyer
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Axel Kohlmeyer
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Mauro Sgroi
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Filippo Spiga
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Mauro Sgroi
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Filippo Spiga
      • [Pw_forum] QE-GPU: compilation error with Espresso 5.1   Mauro Sgroi
• [Pw_forum] Problem in phonon-5.0.2   Lin, Yangzheng
  • [Pw_forum] Problem in phonon-5.0.2   Paolo Giannozzi
    • [Pw_forum] Problem in phonon-5.0.2   Lin, Yangzheng
• [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   Axel Kohlmeyer
  • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   ehsan targholi
    • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   Axel Kohlmeyer
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   ehsan targholi
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   siddheshwar chopra
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   Axel Kohlmeyer
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   ehsan targholi
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   Axel Kohlmeyer
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   ehsan targholi
      • [Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows   Axel Kohlmeyer
• [Pw_forum] Molecular dynamics of magnetic metals   Ravi Kiran
• [Pw_forum] Auto Response   george manyali
• [Pw_forum] QE 5.1: "error in DGETRF" restarting vc-relax calculation   V.Sokolov
  • [Pw_forum] QE 5.1: "error in DGETRF" restarting vc-relax calculation   Lorenzo Paulatto
    • [Pw_forum] QE 5.1: "error in DGETRF" restarting vc-relax calculation   V.Sokolov
• [Pw_forum] ph.x stop without error, but without results.   Osmair Vital Osmair
  • [Pw_forum] ph.x stop without error, but without results.   Paolo Giannozzi
• [Pw_forum] Problem with parallel QE-5.0.2 on workstation   Elliot Menkah
  • [Pw_forum] Problem with parallel QE-5.0.2 on workstation   Paolo Giannozzi
    • [Pw_forum] Problem with parallel QE-5.0.2 on workstation   Elliot Menkah
• [Pw_forum] NaN forces in DFT+U calculation on Cray XE machine.   Mehmet Topsakal
• [Pw_forum] compile error on espresso-5.1   kajiura
  • [Pw_forum] compile error on espresso-5.1   Neeraj Goel
  • [Pw_forum] compile error on espresso-5.1   Paolo Giannozzi
    • [Pw_forum] compile error on espresso-5.1   Filippo Spiga
• [Pw_forum] nosym vs. nosym_evc   Joshua Davis
  • [Pw_forum] nosym vs. nosym_evc   xirainbow
• [Pw_forum] Can we obtain spectra after running ph.x in QE?   Haibei Huang
  • [Pw_forum] Can we obtain spectra after running ph.x in QE?   xirainbow
    • [Pw_forum] Can we obtain spectra after running ph.x in QE?   Florian Altvater
• [Pw_forum] Pw_forum Digest, Vol 86, Issue 9   sara barati
• [Pw_forum] problem with espresso 4.0.3   Sridhar Sadasivam
• [Pw_forum] Re nscf calculation   Swati Khatta
• [Pw_forum] Re : bands calculations   Swati Khatta
• [Pw_forum] Conversion   zahra vatankhah
  • [Pw_forum] Conversion   Arles V. Gil Rebaza
  • [Pw_forum] Conversion   Florian Altvater
    • [Pw_forum] Conversion   Florian Altvater
  • [Pw_forum] Conversion   Davide Tiana
• [Pw_forum] Doubt in ibrav = 7   Youssef Aharbil
  • [Pw_forum] Doubt in ibrav = 7   Tone Kokalj
• [Pw_forum] wrong total_weight in matdyn.x   Uri Argaman
• [Pw_forum] Cannot find 'charge-density.xml' when running pw2bgw.x (quantum espresso-5.0 and 5.0.1)   Zhiyao Zhu
  • [Pw_forum] Cannot find 'charge-density.xml' when running pw2bgw.x (quantum espresso-5.0 and 5.0.1)   Zhiyao Zhu
• [Pw_forum] band plots   Hans Horn
• [Pw_forum] Fluorine and PBE PAW/US   Benjamin Smith
  • [Pw_forum] Fluorine and PBE PAW/US   Thomas Brumme
  • [Pw_forum] Fluorine and PBE PAW/US   Paolo Giannozzi
  • [Pw_forum] Fluorine and PBE PAW/US   Benjamin Smith
• [Pw_forum] pseudopotentials for Mo atom   Mansoureh Pashangpour
• [Pw_forum] PDOS in the presence of spin-orbit coupling   Mohsen Modaresi
  • [Pw_forum] PDOS in the presence of spin-orbit coupling   Sclauzero Gabriele
    • [Pw_forum] PDOS in the presence of spin-orbit coupling   Mohsen Modaresi
• [Pw_forum] D-band center calcaulation   Muhammad Adnan
  • [Pw_forum] D-band center calcaulation   Stefano Baroni
    • [Pw_forum] D-band center calcaulation   BARRETEAU Cyrille
• [Pw_forum] Ferroelectrics   Roze Ridi
  • [Pw_forum] Ferroelectrics   Serge Nakhmanson
    • [Pw_forum] Ferroelectrics   yelena
• [Pw_forum] time-dependent perturbation theory   yelena
  • [Pw_forum] time-dependent perturbation theory   Stefano Baroni
    • [Pw_forum] time-dependent perturbation theory   yelena
• [Pw_forum] Hybridization   Tommy
  • [Pw_forum] Hybridization   Juan Jose Melendez Martinez
    • [Pw_forum] Hybridization   Pang Rui
      • [Pw_forum] Hybridization   Juanjo Meléndez
  • [Pw_forum] Hybridization   Pang Rui
• [Pw_forum] (no subject)   Osmair Vital Osmair
  • [Pw_forum] (no subject)   Ari P Seitsonen
    • [Pw_forum] (no subject)   Osmair Vital Osmair
• [Pw_forum] Input redirection - Reg   Suresh A
  • [Pw_forum] Input redirection - Reg   Paolo Giannozzi
• [Pw_forum] Intermolecular energy of two fragments.   Valentina Cantatore
  • [Pw_forum] Intermolecular energy of two fragments.   Giuseppe Mattioli
  • [Pw_forum] Intermolecular energy of two fragments.   Paolo Giannozzi
    • [Pw_forum] Intermolecular energy of two fragments.   Valentina Cantatore
  • [Pw_forum] Intermolecular energy of two fragments.   Giovanni Cantele
    • [Pw_forum] Intermolecular energy of two fragments.   Valentina Cantatore
      • [Pw_forum] Intermolecular energy of two fragments.   Paolo Giannozzi
      • [Pw_forum] Intermolecular energy of two fragments.   Giovanni Cantele
      • [Pw_forum] Intermolecular energy of two fragments.   Valentina Cantatore
• [Pw_forum] How to know from the output file that the GPU part is really running in QE-GPU   Karim Elgammal
  • [Pw_forum] How to know from the output file that the GPU part is really running in QE-GPU   Karim Elgammal
  • [Pw_forum] How to know from the output file that the GPU part is really running in QE-GPU   Filippo Spiga
    • [Pw_forum] How to know from the output file that the GPU part is really running in QE-GPU   Karim Elgammal
• [Pw_forum] Quantum Espresso + Plumed: Metadynamics on Excited States?   Juan Manuel Ortiz Sánchez
  • [Pw_forum] Quantum Espresso + Plumed: Metadynamics on Excited States?   Layla Martin-Samos
  • [Pw_forum] Quantum Espresso + Plumed: Metadynamics on Excited States?   Paolo Giannozzi
    • [Pw_forum] Quantum Espresso + Plumed: Metadynamics on Excited States?   Juan Manuel Ortiz Sánchez
• [Pw_forum] about the output of the epsilon.x   shuai
  • [Pw_forum] about the output of the epsilon.x   Paolo Giannozzi
    • [Pw_forum] about the output of the epsilon.x   shuai
• [Pw_forum] ts-vdW in pw.x   H. Lee
  • [Pw_forum] ts-vdW in pw.x   Paolo Giannozzi
• [Pw_forum] crystal structure for cu2se   mousumi uk
  • [Pw_forum] crystal structure for cu2se   Giuseppe Mattioli
• [Pw_forum] PAW potentials and ecutrho convergence   Joshua Davis
  • [Pw_forum] PAW potentials and ecutrho convergence   Paolo Giannozzi
    • [Pw_forum] PAW potentials and ecutrho convergence   Joshua Davis
      • [Pw_forum] PAW potentials and ecutrho convergence   Holzwarth, Natalie
      • [Pw_forum] PAW potentials and ecutrho convergence   Joshua Davis
• [Pw_forum] Input Redirection   Suresh A
  • [Pw_forum] Input Redirection   Paolo Giannozzi
• [Pw_forum] QE-GPU compilation problems   Uri Argaman
  • [Pw_forum] QE-GPU compilation problems   Filippo Spiga
  • [Pw_forum] QE-GPU compilation problems   Uri Argaman
    • [Pw_forum] QE-GPU compilation problems   Filippo Spiga
  • [Pw_forum] QE-GPU compilation problems   Uri Argaman
    • [Pw_forum] QE-GPU compilation problems   Ivan Girotto
  • [Pw_forum] QE-GPU compilation problems   Uri Argaman
    • [Pw_forum] QE-GPU compilation problems   Filippo Spiga
  • [Pw_forum] QE-GPU compilation problems   janardhan H.L.
    • [Pw_forum] QE-GPU compilation problems   janardhan H.L.
    • [Pw_forum] QE-GPU compilation problems   Filippo Spiga
      • [Pw_forum] QE-GPU compilation problems   janardhan H.L.
      • [Pw_forum] QE-GPU compilation problems   Ivan Girotto
      • [Pw_forum] QE-GPU compilation problems   Filippo Spiga
  • [Pw_forum] QE-GPU compilation problems   Uri Argaman
    • [Pw_forum] QE-GPU compilation problems   Filippo Spiga
• [Pw_forum] why do we need to relax the atomic coordinates obtained from cif file   janardhan H.L.
  • [Pw_forum] why do we need to relax the atomic coordinates obtained from cif file   Axel Kohlmeyer
• [Pw_forum] electron-phonon coupling for the spin-orbit coupling system   盖彦峰
  • [Pw_forum] electron-phonon coupling for the spin-orbit coupling system   Pang Rui
• [Pw_forum] Error in routine bfgs (1): dE0s is positive which should never happen   amitharani
  • [Pw_forum] Error in routine bfgs (1): dE0s is positive which should never happen   amitharani
    • [Pw_forum] Error in routine bfgs (1): dE0s is positive which should never happen   Paolo Giannozzi
      • [Pw_forum] Error in routine bfgs (1): dE0s is positive which should never happen   Lorenzo Paulatto
• [Pw_forum] for bandgap information   Neeraj Goel
  • [Pw_forum] for bandgap information   Nicola Marzari
    • [Pw_forum] for bandgap information   Giuseppe Mattioli
• [Pw_forum] Phonons calcultation at Gamma   Said Asma
  • [Pw_forum] Phonons calcultation at Gamma   Lorenzo Paulatto
• [Pw_forum] for getting bandgap information   Neeraj Goel
• [Pw_forum] Electron-phonon coupling code   Sridhar Sadasivam
  • [Pw_forum] Electron-phonon coupling code   Paolo Giannozzi
• [Pw_forum] bulk modulus   Halima Zaari
  • [Pw_forum] bulk modulus   Stefano Baroni
• [Pw_forum] MPI is on PATH but not detecting by Quantum espresso   PRATIK DAS
  • [Pw_forum] MPI is on PATH but not detecting by Quantum espresso   Paolo Giannozzi
  • [Pw_forum] MPI is on PATH but not detecting by Quantum espresso   Filippo Spiga
• [Pw_forum] Segmentation fault in exx_stress routine   Hosik Lee
  • [Pw_forum] Segmentation fault in exx_stress routine   Paolo Giannozzi
• [Pw_forum] BaRuO3 forces are zero always for any celldm(1)   SRKC Sharma Yamijala
• [Pw_forum] the Quantum ESPRESSO prize for quantum mechanical materials modeling   Stefano Baroni
• [Pw_forum] Quantum Espresso Developers' Advanced Training Announcemement   stefano de gironcoli
• [Pw_forum] starting from file   Nossa, Javier
  • [Pw_forum] starting from file   Paolo Giannozzi
    • [Pw_forum] starting from file   Karim Elgammal
      • [Pw_forum] starting from file   Nossa, Javier
      • [Pw_forum] starting from file   Paolo Giannozzi
      • [Pw_forum] starting from file   Nossa, Javier
      • [Pw_forum] starting from file   Nossa, Javier
• [Pw_forum] Phonon band with spin-orbit coupling   Dingfu Shao
  • [Pw_forum] Phonon band with spin-orbit coupling   Andrea Dal Corso
    • [Pw_forum] Phonon band with spin-orbit coupling   dingfu.shao
• [Pw_forum] wigner seitz radius   Suza W
• [Pw_forum] Failure during collective   paresh rout
  • [Pw_forum] Failure during collective   Filippo Spiga
• [Pw_forum] [QE-GPU]Compiling QE-GPU with Cuda-6.0 or higher   Esteban Ribadeneira Paz
  • [Pw_forum] [QE-GPU]Compiling QE-GPU with Cuda-6.0 or higher   Filippo Spiga
    • [Pw_forum] [QE-GPU]Compiling QE-GPU with Cuda-6.0 or higher   Rafael Ribadeneira
• [Pw_forum] ignoring the antiferromagnetic order in the symmetry analysis of phonons   Alaska Subedi
  • [Pw_forum] ignoring the antiferromagnetic order in the symmetry analysis of phonons   xirainbow
  • [Pw_forum] ignoring the antiferromagnetic order in the symmetry analysis of phonons   Lorenzo Paulatto
• [Pw_forum] Phonons calculations at Gamma   Said Asma
  • [Pw_forum] Phonons calculations at Gamma   Nicola Marzari
    • [Pw_forum] Phonons calculations at Gamma   Said Asma
      • [Pw_forum] Phonons calculations at Gamma   Nicola Marzari

Last message date: Tue Sep 30 19:01:44 CEST 2014
Archived on: Wed Feb 28 11:13:01 CET 2018

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