May 2015 Archives by thread

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Starting: Fri May 1 11:05:02 CEST 2015
Ending: Sun May 31 22:19:26 CEST 2015
Messages: 210

• [Pw_forum] PP Reconstruction   Youssef Aharbil
  • [Pw_forum] PP Reconstruction   Carsten Fortmann
• [Pw_forum] Problems computing cholesky   Carlo Motta
  • [Pw_forum] R: Problems computing cholesky   Carlo Motta
    • [Pw_forum] R: Problems computing cholesky   Lorenzo Paulatto
      • [Pw_forum] R: Problems computing cholesky   Paolo Giannozzi
    • [Pw_forum] R: Problems computing cholesky   Carlo Motta
    • [Pw_forum] R: Problems computing cholesky   Carlo Motta
      • [Pw_forum] R: Problems computing cholesky   Giuseppe Mattioli
    • [Pw_forum] R: Problems computing cholesky   Carlo Motta
• [Pw_forum] wannier interpolation for hybrids   Vojtěch Vlček
  • [Pw_forum] wannier interpolation for hybrids   Nicola Marzari
• [Pw_forum] TDDFT   fataneh bostan afroz
• [Pw_forum] npool   fataneh bostan afroz
• [Pw_forum] How to prepare the pwscf input file when ibrav=-12?   arjang shahvar
  • [Pw_forum] How to prepare the pwscf input file when ibrav=-12?   yin li
    • [Pw_forum] How to prepare the pwscf input file when ibrav=-12?   Paolo Giannozzi
    • [Pw_forum] How to prepare the pwscf input file when ibrav=-12?   arjang shahvar
• [Pw_forum] Error for CP in QE version 5.1.2   Eduardo Cisternas
• [Pw_forum] question regarding ILDOS plots in PP.x   meysam pazoki
  • [Pw_forum] question regarding ILDOS plots in PP.x   Guido Fratesi
• [Pw_forum] uniform k-point grid with option 'automatic'??   Paolo Giannozzi
• [Pw_forum] Problem in relaxing Si structure   reza vatan
  • [Pw_forum] Problem in relaxing Si structure   arjang shahvar
  • [Pw_forum] Problem in relaxing Si structure   Lorenzo Paulatto
    • [Pw_forum] Problem in relaxing Si structure   reza vatan
      • [Pw_forum] Problem in relaxing Si structure   Lorenzo Paulatto
• [Pw_forum] PlotPhonon for FCC structure   Uri Argaman
  • [Pw_forum] PlotPhonon for FCC structure   Paolo Giannozzi
• [Pw_forum] Continuum solvation in Quantum-ESPRESSO: Environ module released   Oliviero Andreussi
  • [Pw_forum] Re: Continuum solvation in Quantum-ESPRESSO: Environ module released   nisihara225 at gmail.com
• [Pw_forum] bands_FS.x : Fortran runtime error   Ludwig, Stephan
  • [Pw_forum] bands_FS.x : Fortran runtime error   Paolo Giannozzi
  • [Pw_forum] bands_FS.x : Fortran runtime error   Ludwig, Stephan
• [Pw_forum] Alpha-Beta-Gamma Angles after a VC-relaxation   Francesco Pelizza
  • [Pw_forum] Alpha-Beta-Gamma Angles after a VC-relaxation   Giuseppe Mattioli
    • [Pw_forum] Alpha-Beta-Gamma Angles after a VC-relaxation   Paolo Giannozzi
• [Pw_forum] PPs for V and Cs   Carlo Motta
  • [Pw_forum] PPs for V and Cs   Carlo Motta
  • [Pw_forum] PPs for V and Cs   Mostafa Youssef
• [Pw_forum] london=true   Mohamad Moadeli
  • [Pw_forum] london=true   Paolo Giannozzi
  • [Pw_forum] london=true   Giuseppe Mattioli
    • [Pw_forum] london=true   Mohamad Moadeli
• [Pw_forum] Problem calculating local dos with pp.x   max
  • [Pw_forum] Problem calculating local dos with pp.x   Giovanni Cantele
    • [Pw_forum] Problem calculating local dos with pp.x   max
• [Pw_forum] problem with K_POINTS introduced by hand (input and output files enclosed)   Manuel Pérez Jigato
  • [Pw_forum] problem with K_POINTS introduced by hand (input and output files enclosed)   Manuel Pérez Jigato
    • [Pw_forum] problem with K_POINTS introduced by hand (input and output files enclosed)   Paolo Giannozzi
    • [Pw_forum] problem with K_POINTS introduced by hand (input and output files enclosed)   Giovanni Cantele
      • [Pw_forum] problem with K_POINTS introduced by hand (input and output files enclosed)   Giovanni Cantele
  • [Pw_forum] problem with K_POINTS introduced by hand (input and output files enclosed)   Giuseppe Mattioli
• [Pw_forum] problem with K_POINTS introduced by hand   Manuel Pérez Jigato
• [Pw_forum] Bad termination of phonon calculation   liyincumt at gmail.com
  • [Pw_forum] Bad termination of phonon calculation   arjang shahvar
• [Pw_forum] Fw: help needed   TIMOTHY UTO
  • [Pw_forum] Fw: help needed   Giuseppe Mattioli
• [Pw_forum] About ZnO Slab   Bipul Rakshit
  • [Pw_forum] About ZnO Slab   Giuseppe Mattioli
    • [Pw_forum] About ZnO Slab   Bipul Rakshit
      • [Pw_forum] About ZnO Slab   Manjusha Chugh
      • [Pw_forum] About ZnO Slab   reza vatan
      • [Pw_forum] About ZnO Slab   Bipul Rakshit
      • [Pw_forum] About ZnO Slab   reza vatan
• [Pw_forum] Visualizing charge density (pp.x)   Brandon Nguyen
  • [Pw_forum] Visualizing charge density (pp.x)   plgong
    • [Pw_forum] Visualizing charge density (pp.x)   Brandon Nguyen
  • [Pw_forum] Visualizing charge density (pp.x)   max
• [Pw_forum] Electron-phonon matrix calculation and elph.#iq.#irr.xml   Jaehong Park
  • [Pw_forum] Electron-phonon matrix calculation and elph.#iq.#irr.xml   Paolo Giannozzi
  • [Pw_forum] Electron-phonon matrix calculation and elph.#iq.#irr.xml   Jaehong Park
• [Pw_forum] (no subject)   saswata halder
  • [Pw_forum] (no subject)   George Amolo
    • [Pw_forum] (no subject)   saswata halder
      • [Pw_forum] (no subject)   saswata halder
  • [Pw_forum] (no subject)   Nasrin zekavat falak
  • [Pw_forum] (no subject)   Hamidreza Nezhadhajesmaile
  • [Pw_forum] (no subject)   Joydev De
• [Pw_forum] implementation of DFT-D3   Behnaz Bagheri
  • [Pw_forum] implementation of DFT-D3   Paolo Giannozzi
    • [Pw_forum] implementation of DFT-D3   Behnaz Bagheri
• [Pw_forum] Negative Polarization !!!   Mojtaba Mirseraji
  • [Pw_forum] Negative Polarization !!!   Mostafa Youssef
    • [Pw_forum] Negative Polarization !!!   Mojtaba Mirseraji
• [Pw_forum] Phonon- Negative frequencies   Sohail Ahmad
• [Pw_forum] Question regarding how nonlinear core correction PPs are treated in PWscf   Stephen Weitzner
  • [Pw_forum] Question regarding how nonlinear core correction PPs are treated in PWscf   Paolo Giannozzi
    • [Pw_forum] Question regarding how nonlinear core correction PPs are treated in PWscf   Stephen Weitzner
• [Pw_forum] Convergence in ZnAlO4   Winfred Mulwa
  • [Pw_forum] Convergence in ZnAlO4   Lorenzo Paulatto
• [Pw_forum] Silicon HSE Problem   Khara, Galvin
  • [Pw_forum] Silicon HSE Problem   Layla Martin-Samos
    • [Pw_forum] Silicon HSE Problem   Khara, Galvin
      • [Pw_forum] Silicon HSE Problem   Ari P Seitsonen
      • [Pw_forum] Silicon HSE Problem   Layla Martin-Samos
      • [Pw_forum] Silicon HSE Problem   Khara, Galvin
      • [Pw_forum] Silicon HSE Problem   DHIRENDRA VAIDYA
      • [Pw_forum] Silicon HSE Problem   Khara, Galvin
      • [Pw_forum] Silicon HSE Problem   DHIRENDRA VAIDYA
      • [Pw_forum] Silicon HSE Problem   Khara, Galvin
      • [Pw_forum] Silicon HSE Problem   DHIRENDRA VAIDYA
      • [Pw_forum] Silicon HSE Problem   Khara, Galvin
• [Pw_forum] Convergence problem in Si slab structure   reza vatan
  • [Pw_forum] Convergence problem in Si slab structure   Robert Hembree
  • [Pw_forum] Convergence problem in Si slab structure   Giovanni Cantele
    • [Pw_forum] Convergence problem in Si slab structure   reza vatan
• [Pw_forum] convergence problem in phonon calculation   杨顶峰
  • [Pw_forum] convergence problem in phonon calculation   Ari P Seitsonen
• [Pw_forum] Problem in carrying out Phonon calculations   saswata halder
  • [Pw_forum] Problem in carrying out Phonon calculations   saswata halder
  • [Pw_forum] Problem in carrying out Phonon calculations   Ari P Seitsonen
• [Pw_forum] Request input file   Nasrin zekavat falak
  • [Pw_forum] Request input file   Giovanni Cantele
• [Pw_forum] [qe-gpu]   kanubhav at iitk.ac.in
  • [Pw_forum] [qe-gpu]   Filippo Spiga
  • [Pw_forum] [qe-gpu]   kanubhav at iitk.ac.in
    • [Pw_forum] [qe-gpu]   Filippo Spiga
  • [Pw_forum] [qe-gpu]   kanubhav at iitk.ac.in
    • [Pw_forum] [qe-gpu]   Ari P Seitsonen
  • [Pw_forum] [qe-gpu]   nihalraz at iitk.ac.in
  • [Pw_forum] [qe-gpu]   kanubhav at iitk.ac.in
    • [Pw_forum] [qe-gpu]   Filippo Spiga
      • [Pw_forum] [*] Re: [qe-gpu]   Anubhav Kumar
      • [Pw_forum] [*] Re: [qe-gpu]   Anubhav Kumar
      • [Pw_forum] [*] Re: [qe-gpu]   Filippo Spiga
• [Pw_forum] Generate proton in Quantum Espresso   Leong Jun Xing
  • [Pw_forum] Generate proton in Quantum Espresso   Axel Kohlmeyer
• [Pw_forum] How to get Fermi surface (kf_x, kf_y, kf_z) coordinates from Xcrysden   Rajan Pandey
• [Pw_forum] Fwd: flat band structure   Zeina Al-Dolami
  • [Pw_forum] flat band structure   Giovanni Cantele
• [Pw_forum] ZnAlO4 Band gap   Winfred Mulwa
  • [Pw_forum] ZnAlO4 Band gap   Giovanni Cantele
  • [Pw_forum] ZnAlO4 Band gap   ashkan shekaari
• [Pw_forum] A quesion on phonon calculation   高强
  • [Pw_forum] A quesion on phonon calculation   Paolo Giannozzi
    • [Pw_forum] A quesion on phonon calculation   高强
      • [Pw_forum] A quesion on phonon calculation   Paolo Giannozzi
• [Pw_forum] Si Bandstructure in HSE: Wannier90   DHIRENDRA VAIDYA
  • [Pw_forum] Si Bandstructure in HSE: Wannier90   nicvok
    • [Pw_forum] Si Bandstructure in HSE: Wannier90   DHIRENDRA VAIDYA
• [Pw_forum] work function of Metal transition metal oxide.   Bipul Rakshit
  • [Pw_forum] work function of Metal transition metal oxide.   Giovanni Cantele
    • [Pw_forum] work function of Metal transition metal oxide.   Bipul Rakshit
      • [Pw_forum] work function of Metal transition metal oxide.   Giovanni Cantele
• [Pw_forum] Messy output from parallel execution after a debug   Jingyang Wang
  • [Pw_forum] Messy output from parallel execution after a debug   Paolo Giannozzi
• [Pw_forum] Does QE generate random structures?   reza vatan
  • [Pw_forum] Does QE generate random structures?   Giuseppe Mattioli
  • [Pw_forum] Does QE generate random structures?   Axel Kohlmeyer
• [Pw_forum] scaling spin-orbit coupling   J. D. Burton
  • [Pw_forum] scaling spin-orbit coupling   Andrea Dal Corso
• [Pw_forum] GGA+U for Germanium, Tin and Silicon   DHIRENDRA VAIDYA
  • [Pw_forum] GGA+U for Germanium, Tin and Silicon   Giuseppe Mattioli
• [Pw_forum] Error message: "lattice parameter specified twice" in version 5.1.2   Saeed Kazemiabnavi
  • [Pw_forum] Error message: "lattice parameter specified twice" in version 5.1.2   Florian Brown-Altvater
    • [Pw_forum] Error message: "lattice parameter specified twice" in version 5.1.2   Saeed Kazemiabnavi
• [Pw_forum] Calculation on carriers density   plgong
  • [Pw_forum] Calculation on carriers density   nicvok
• [Pw_forum] single atom calculations In   Gabriel Greene
  • [Pw_forum] single atom calculations In   Andrea Dal Corso
    • [Pw_forum] single atom calculations In   Gabriel Greene
• [Pw_forum] Finite electric field (smearing , DFT+U, and total energy)   Mostafa Youssef
  • [Pw_forum] Finite electric field (smearing , DFT+U, and total energy)   Paolo Giannozzi
  • [Pw_forum] Finite electric field (smearing , DFT+U, and total energy)   Mostafa Youssef
• [Pw_forum] DOS calculations   Sara Osama Kilany
  • [Pw_forum] DOS calculations   Ari P Seitsonen
  • [Pw_forum] DOS calculations   plgong
• [Pw_forum] The unit of degauss in Lambda.out file   toktam morshedlo
• [Pw_forum] which one is the correct way of calculating magnetocrystalline anisotropy energy?   庞瑞(PANG Rui)
• [Pw_forum] error in phonon calculation   kulwinder kaur
• [Pw_forum] LDA+U+Phonons   W2AGZ
• [Pw_forum] No k-point in electronic band structure diagram generated by plotband.x   reza vatan
• [Pw_forum] HSE Elevated Electronic Temperatures   Khara, Galvin
• [Pw_forum] Problem with determination of U using linear response   Prasenjit Ghosh
  • [Pw_forum] Problem with determination of U using linear response   Matteo Cococcioni
    • [Pw_forum] Problem with determination of U using linear response   Prasenjit Ghosh
• [Pw_forum] Ghost_atoms   Kai.Trepte at chemie.tu-dresden.de
  • [Pw_forum] Ghost_atoms   Nicola Marzari
• [Pw_forum] subroutine error.f90? or error_handler.f90? for pw2abinit   Manuel Pérez Jigato
  • [Pw_forum] subroutine error.f90? or error_handler.f90? for pw2abinit   Paolo Giannozzi
    • [Pw_forum] subroutine error.f90? or error_handler.f90? for pw2abinit   Manuel Pérez Jigato
      • [Pw_forum] subroutine error.f90? or error_handler.f90? for pw2abinit   nicola varini
• [Pw_forum] Version differences (4.2.1 to 5.1.2)   Eric Glen Suter
  • [Pw_forum] Version differences (4.2.1 to 5.1.2)   Paolo Giannozzi
• [Pw_forum] How to deal with the error (bad termination exit code: 9) in phonon calculation?   liyincumt at gmail.com
  • [Pw_forum] How to deal with the error (bad termination exit code: 9) in phonon calculation?   liyincumt at gmail.com
  • [Pw_forum] How to deal with the error (bad termination exit code: 9) in phonon calculation?   Paolo Giannozzi
    • [Pw_forum] How to deal with the error (bad termination exit code: 9) in phonon calculation?   Vijay Amirtharaj A
  • [Pw_forum] How to deal with the error (bad termination exit code: 9) in phonon calculation?   liyincumt at gmail.com
    • [Pw_forum] How to deal with the error (bad termination exit code: 9) in phonon calculation?   Axel Kohlmeyer
• [Pw_forum] Pseudopotential for Ni   Ahmad.Ziaee
  • [Pw_forum] Pseudopotential for Ni   Giuseppe Mattioli
• [Pw_forum] Enquiry about the Electrostatic Potential   song kenan
• [Pw_forum] QE-GPU   Vo, Trinh (398K)
  • [Pw_forum] QE-GPU   Filippo Spiga
• [Pw_forum] Can one set the c-parameter in the TB09 functional?   Florian Fuchs
  • [Pw_forum] Can one set the c-parameter in the TB09 functional?   Paolo Giannozzi
• [Pw_forum] wrong symmetries for the forces in a supercell (two files enclosed, .in and .out)   Manuel Pérez Jigato
  • [Pw_forum] wrong symmetries for the forces in a supercell (two files enclosed, .in and .out)   MKondrin
    • [Pw_forum] wrong symmetries for the forces in a supercell (two files enclosed, .in and .out)   Nicola Marzari
      • [Pw_forum] wrong symmetries for the forces in a supercell (two files enclosed, .in and .out)   MKondrin
  • [Pw_forum] wrong symmetries for the forces in a supercell (two files enclosed, .in and .out)   Nicola Marzari
• [Pw_forum] vc-relax of R-3c structure does not converge   lung Fermin
• [Pw_forum] job vacancy announcement   Stefano Baroni
• [Pw_forum] Fw: SV: SV: SV: cif2cell enquiry TO MKONDRIN ( one file enclosed )   Manuel Pérez Jigato
  • [Pw_forum] Fw: SV: SV: SV: cif2cell enquiry TO MKONDRIN ( one file enclosed )   Nicola Marzari
• [Pw_forum] Why the same input file resulted in differnt output results on different computers?   liyincumt at gmail.com
  • [Pw_forum] Why the same input file resulted in differnt output results on different computers?   Lorenzo Paulatto
• [Pw_forum] definition of bare potential   Meysam Pazoki

Last message date: Sun May 31 22:19:26 CEST 2015
Archived on: Wed Feb 28 11:13:05 CET 2018

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