November 2011 Archives by thread

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Starting: Tue Nov 1 03:03:41 CET 2011
Ending: Wed Nov 30 23:07:49 CET 2011
Messages: 283

• [Pw_forum] Please help me   陶鹏
  • [Pw_forum] Please help me   Axel Kohlmeyer
  • [Pw_forum] Please help me   陶鹏
  • [Pw_forum] Raman spectra calculation using QE   bhabya sahoo
    • [Pw_forum] Raman spectra calculation using QE   Sanjeev Gupta
    • [Pw_forum] Raman spectra calculation using QE   Paolo Giannozzi
  • [Pw_forum] Structural properties   nicolas bruno
    • [Pw_forum] Structural properties   Arles V. Gil Rebaza
    • [Pw_forum] Structural properties   KangYun Song
  • [Pw_forum] Berry phase electric field calculations with empty bands   Alexander Urban
    • [Pw_forum] Berry phase electric field calculations with empty bands   Paolo Giannozzi
    • [Pw_forum] Berry phase electric field calculations with empty bands   Alexander Urban
    • [Pw_forum] Berry phase electric field calculations with empty bands   Paolo Giannozzi
• [Pw_forum] Zn NC_PP from qe-forge   Nichols A. Romero
  • [Pw_forum] Zn NC_PP from qe-forge   Paolo Giannozzi
  • [Pw_forum] conflicting values icorr /igcx   Jörg Buchwald
  • [Pw_forum] conflicting values icorr /igcx   Paolo Giannozzi
  • [Pw_forum] Pw_forum Digest, Vol 53, Issue 1   bahaareh tavakoli nejad
• [Pw_forum] (no subject)   F Anis
  • [Pw_forum] (no subject)   Paolo Giannozzi
  • [Pw_forum] conflicting values icorr /igcx   joerg.buchwald at iom-leipzig.de
    • [Pw_forum] conflicting values icorr /igcx   Paolo Giannozzi
    • [Pw_forum] conflicting values icorr /igcx   Jörg Buchwald
• [Pw_forum] Raman spectra calculation using QE   bhabya sahoo
• [Pw_forum] Pw_forum Digest, Vol 53, Issue 3   nicolas bruno
  • [Pw_forum] electron-phonon calculations   Elie Moujaes
• [Pw_forum] Question regarding stars in postscript band plots   Éric Germaneau
  • [Pw_forum] Question regarding stars in postscript band plots   Paolo Giannozzi
• [Pw_forum] V_loc |psi> in h_psi   Yun-Peng Wang
  • [Pw_forum] V_loc |psi> in h_psi   Lorenzo Paulatto
    • [Pw_forum] V_loc |psi> in h_psi   Stefano Baroni
• [Pw_forum] Phonon eigenvector calculation   Tribhuwan Pandey
  • [Pw_forum] Fwd: Phonon eigenvector calculation   Tribhuwan Pandey
• [Pw_forum] fortran 90 for suse 11 linux   F Anis
  • [Pw_forum] fortran 90 for suse 11 linux   Lorenzo Paulatto
• [Pw_forum] fortran compiler   F Anis
  • [Pw_forum] fortran compiler   Axel Kohlmeyer
• [Pw_forum] k-path for phonon   Éric Germaneau
  • [Pw_forum] k-path for phonon   GAO Zhe
  • [Pw_forum] problem in scf run   Pankaj Pankaj
    • [Pw_forum] problem in scf run   Axel Kohlmeyer
      • [Pw_forum] problem in scf run   Stefano Baroni
      • [Pw_forum] problem in scf run   Axel Kohlmeyer
      • [Pw_forum] problem in scf run   Huiqun Zhou
• [Pw_forum] GIPAW: error in output   Davide Ceresoli
  • [Pw_forum] GIPAW: error in output   Carlo Nervi
    • [Pw_forum] Error in pseudopotential generation   Mahmoud Payami Shabestari
      • [Pw_forum] Error in pseudopotential generation   mohaddeseh abbasnejad
      • [Pw_forum] Error in pseudopotential generation   Mahmoud Payami Shabestari
  • [Pw_forum] correct values for "nns"   Mahmoud Payami Shabestari
    • [Pw_forum] correct values for "nns"   mohaddeseh abbasnejad
    • [Pw_forum] correct values for "nns"   Mahmoud Payami Shabestari
    • [Pw_forum] "nns"   Mahmoud Payami Shabestari
    • [Pw_forum] "nns"   Paolo Giannozzi
    • [Pw_forum] "nns"   Mahmoud Payami
  • [Pw_forum] mean square displacement amplitude for an atom   Payam Norouzzadeh
  • [Pw_forum] GIPAW: error in output   KangYun Song
    • [Pw_forum] Defining spin states in PWscf   hariom jani
    • [Pw_forum] Defining spin states in PWscf   Andrea Dal Corso
• [Pw_forum] Structural properties   Éric Germaneau
• [Pw_forum] Question about work function   Alexander G. Kvashnin
• [Pw_forum] Elastic Constants   henry odhiambo
  • [Pw_forum] Elastic Constants   mohnish pandey
  • [Pw_forum] Elastic Constants   Nicola Marzari
• [Pw_forum] How to show bands above fermi level in PDOS?   WF
  • [Pw_forum] How to show bands above fermi level in PDOS?   KangYun Song
    • [Pw_forum] How to show bands above fermi level in PDOS?   Paolo Giannozzi
• [Pw_forum] XCrysDen & Animation Capture   W2AGZ
  • [Pw_forum] XCrysDen & Animation Capture   Arles V. Gil Rebaza
    • [Pw_forum] XCrysDen & Animation Capture   Axel Kohlmeyer
    • [Pw_forum] XCrysDen & Animation Capture   Tone Kokalj
• [Pw_forum] XCrysDen & Animation Capture   W2AGZ
• [Pw_forum] NEB Convergence Problem   Vic Bermudez
  • [Pw_forum] NEB Convergence Problem   Tone Kokalj
    • [Pw_forum] NEB Convergence Problem   Vic Bermudez
      • [Pw_forum] NEB Convergence Problem   Tone Kokalj
  • [Pw_forum] general question on materials physics   pascal boulet
    • [Pw_forum] general question on materials physics   Stefano de Gironcoli
      • [Pw_forum] general question on materials physics   pascal boulet
  • [Pw_forum] general question on materials physics   pascal boulet
• [Pw_forum] Query on Xcrysden   Ajit Vallabhaneni
  • [Pw_forum] Query on Xcrysden   Ren PJ
    • [Pw_forum] Query on Xcrysden   Huiqun Zhou
• [Pw_forum] I need LDA pseudopotential of Mo   陶鹏
  • [Pw_forum] I need LDA pseudopotential of Mo   Paolo Giannozzi
  • [Pw_forum] I need LDA pseudopotential of Mo   陶鹏
• [Pw_forum] Query on "e-ph coupling"   Ajit Vallabhaneni
  • [Pw_forum] Query on "e-ph coupling"   Paolo Giannozzi
    • [Pw_forum] Query on "e-ph coupling"   Ajit Vallabhaneni
      • [Pw_forum] Query on "e-ph coupling"   Ajit Vallabhaneni
• [Pw_forum] What is the total energy content of a compound?   r s
  • [Pw_forum] What is the total energy content of a compound?   Stefano Baroni
  • [Pw_forum] What is the total energy content of a compound?   Stefano Baroni
  • [Pw_forum] PAW potential for C   chengyu yang
    • [Pw_forum] PAW potential for C   Stefano de Gironcoli
      • [Pw_forum] PAW potential for C   chengyu yang
      • [Pw_forum] PAW potential for C   chengyu yang
      • [Pw_forum] PAW potential for C   Duy Le
      • [Pw_forum] PAW potential for C   chengyu yang
• [Pw_forum] LDA scheme used in QE   Padmaja Patnaik
  • [Pw_forum] LDA scheme used in QE   Stefano de Gironcoli
  • [Pw_forum] QHA frequency is higher than *.freq   KangYun Song
    • [Pw_forum] QHA frequency is higher than *.freq   KangYun Song
    • [Pw_forum] QHA frequency is higher than *.freq   KangYun Song
    • [Pw_forum] QHA frequency is higher than *.freq   KangYun Song
    • [Pw_forum] QHA frequency is higher than *.freq   Paolo Giannozzi
    • [Pw_forum] QHA frequency is higher than *.freq   KangYun Song
    • [Pw_forum] QHA frequency is higher than *.freq   Paolo Giannozzi
• [Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6   giacsport at libero.it
  • [Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6   Emine Kucukbenli
  • [Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6   Paolo Giannozzi
    • [Pw_forum] image parallelization for phonon calculations   IYAD AL-QASIR
      • [Pw_forum] image parallelization for phonon calculations   Paolo Giannozzi
      • [Pw_forum] Different mesh for pseudopotential   Mahmoud Payami
      • [Pw_forum] Different mesh for pseudopotential   Paolo Giannozzi
      • [Pw_forum] Different mesh for pseudopotential   Paolo Giannozzi
      • [Pw_forum] Different mesh for pseudopotential   Mahmoud Payami
      • [Pw_forum] image parallelization for phonon calculations   IYAD AL-QASIR
      • [Pw_forum] image parallelization for phonon calculations   Paolo Giannozzi
      • [Pw_forum] image parallelization for phonon calculations   Lorenzo Paulatto
  • [Pw_forum] Problem with DFT + U calculations   Lai Jiang
    • [Pw_forum] Problem with DFT + U calculations   Paolo Giannozzi
  • [Pw_forum] Pw_forum Digest, Vol 53, Issue 23   Sanjay D. Gupta
• [Pw_forum] jellium background   helen at fh.huji.ac.il
  • [Pw_forum] jellium background   Paolo Giannozzi
    • [Pw_forum] jellium background   Paolo Giannozzi
  • [Pw_forum] jellium background   Nicola Marzari
• [Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?   WF
  • [Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?   Gabriele Sclauzero
  • [Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?   Gabriele Sclauzero
• [Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP   Cristian Degli Esposti Boschi
  • [Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP   Axel Kohlmeyer
  • [Pw_forum] Compilation of QE 4.3.2 on (grid) cluster with OpenMPI / OpenMP   Paolo Giannozzi
• [Pw_forum] Davidson diagonalization with overlap   Cao TF
  • [Pw_forum] Davidson diagonalization with overlap   Giuseppe Mattioli
  • [Pw_forum] Phonon life time calculation   Tribhuwan Pandey
• [Pw_forum] problem about pp.x: namelist plot not found or invalid   GAO Zhe
  • [Pw_forum] problem about pp.x: namelist plot not found or invalid   Guido Fratesi
    • [Pw_forum] problem about pp.x: namelist plot not found or invalid   GAO Zhe
  • [Pw_forum] problem about pp.x: namelist plot not found or invalid   GAO Zhe
    • [Pw_forum] problem about pp.x: namelist plot not found or invalid   Guido Fratesi
      • [Pw_forum] problem about pp.x: namelist plot not found or invalid   GAO Zhe
• [Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?   WF
• [Pw_forum] Davidson diagonalization with overlap   Cao TF
  • [Pw_forum] Davidson diagonalization with overlap   Giuseppe Mattioli
• [Pw_forum] vc-relax in QE 4.3.2   Hanghui Chen
  • [Pw_forum] vc-relax in QE 4.3.2   Paolo Giannozzi
  • [Pw_forum] calculation of lattice parameter and angle of rhombohedral structure   yedu kondalu
    • [Pw_forum] calculation of lattice parameter and angle of rhombohedral structure   GAO Zhe
      • [Pw_forum] calculation of lattice parameter and angle of rhombohedral structure   Huiqun Zhou
      • [Pw_forum] calculation of lattice parameter and angle of rhombohedral structure   Gabriele Sclauzero
      • [Pw_forum] calculation of lattice parameter and angle of rhombohedral structure   GAO Zhe
  • [Pw_forum] parallel computing for phonon calculations   Elie M
    • [Pw_forum] parallel computing for phonon calculations   Paolo Giannozzi
  • [Pw_forum] Obtaining SCF convergence for Relax Calculation   Michael Mrozik
    • [Pw_forum] Obtaining SCF convergence for Relax Calculation   Paolo Giannozzi
• [Pw_forum] help on atomic position   bamidele ibrahim
  • [Pw_forum] help on atomic position   Arles V. Gil Rebaza
• [Pw_forum] atomic position of Li15Si4   Omileke Peter
  • [Pw_forum] 'wf_collect' question   Lai Jiang
    • [Pw_forum] 'wf_collect' question   Paolo Giannozzi
  • [Pw_forum] relax calculation for some atoms in the structure   Tram Bui
    • [Pw_forum] relax calculation for some atoms in the structure   KangYun Song
  • [Pw_forum] Defining spin states in PWscf   hariom jani
• [Pw_forum] k point value   Padmaja Patnaik
  • [Pw_forum] k point value   mohnish pandey
  • [Pw_forum] k point value   Paolo Giannozzi
• [Pw_forum] calculation of lattice parameter and angle of rhombohedral structure   Éric Germaneau
• [Pw_forum] question about input files in pseudopotential library   Jia Chen
  • [Pw_forum] question about input files in pseudopotential library   Paolo Giannozzi
  • [Pw_forum] question about input files in pseudopotential library   Jia Chen
  • [Pw_forum] question about input files in pseudopotential library   Lorenzo Paulatto
    • [Pw_forum] question about input files in pseudopotential library   Jia Chen
• [Pw_forum] n_diag   Vivek Ranjan
  • [Pw_forum] n_diag   Paolo Giannozzi
• [Pw_forum] Re :question about input files in pseudopotential library   Sonu Kumar
• [Pw_forum] units in QE (thread renamed from k point value)   Sonu Kumar
  • [Pw_forum] gipaw parallel run is too slow   Ren PJ
    • [Pw_forum] gipaw parallel run is too slow   Lorenzo Paulatto
      • [Pw_forum] gipaw parallel run is too slow   Ren PJ
      • [Pw_forum] gipaw parallel run is too slow   Layla Martin-Samos
• [Pw_forum] error in berry phase calculation   swapnil chandratre
  • [Pw_forum] error in berry phase calculation   Paolo Giannozzi
    • [Pw_forum] error in berry phase calculation   swapnil chandratre
• [Pw_forum] US pseudopotential generation   Tram Bui
  • [Pw_forum] crash in pslibrary.0.2.2   David Strubbe
    • [Pw_forum] crash in pslibrary.0.2.2   Nicola Marzari
      • [Pw_forum] crash in pslibrary.0.2.2   David Strubbe
• [Pw_forum] Query on phonon dispersion   Ajit Vallabhaneni
  • [Pw_forum] Query on phonon dispersion   Lorenzo Paulatto
    • [Pw_forum] Query on phonon dispersion   Ajit Vallabhaneni
      • [Pw_forum] Query on phonon dispersion   Paolo Giannozzi
• [Pw_forum] paw pp for Boron?   Amin Torabi
  • [Pw_forum] paw pp for Boron?   Amin Torabi
• [Pw_forum] PlotPhon Examples   W2AGZ
  • [Pw_forum] PlotPhon Examples   GAO Zhe
  • [Pw_forum] PlotPhon Examples   Paolo Giannozzi
• [Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox   W2AGZ
  • [Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox   Paolo Giannozzi
    • [Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox   Axel Kohlmeyer
    • [Pw_forum] ploting difference in charge density   vicky singh
  • [Pw_forum] SCF calculations do not converge   IYAD AL-QASIR
    • [Pw_forum] SCF calculations do not converge   mohnish pandey
• [Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc   Vic Bermudez
  • [Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc   Nicola Marzari
• [Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc   Eduardo Ariel Menendez Proupin
• [Pw_forum] unallocated variable   David Strubbe
  • [Pw_forum] unallocated variable   Paolo Giannozzi
• [Pw_forum] (no subject)   Mahdi Faqieh nasiri
  • [Pw_forum] Call for contributions   Layla Martin-Samos
• [Pw_forum] Phonon calculations   henry odhiambo
  • [Pw_forum] Phonon calculations   Lorenzo Paulatto
    • [Pw_forum] Phonon calculations   Paolo Giannozzi
  • [Pw_forum] Fermi energy from scf calculation   Tram Bui
    • [Pw_forum] Fermi energy from scf calculation   Gabriele Sclauzero
    • [Pw_forum] Fermi energy from scf calculation   Tram Bui
    • [Pw_forum] Fermi energy from scf calculation   Paolo Giannozzi
• [Pw_forum] G-vector in scf calculation   Tram Bui
  • [Pw_forum] G-vector in scf calculation   Gabriele Sclauzero
  • [Pw_forum] Fixing magnetization in a given direction for "vc-relax" or relax calculations   mohnish pandey
  • [Pw_forum] vc-relax for a Magnetic atom   Ali ALLAM
    • [Pw_forum] vc-relax for a Magnetic atom   Sanjeev Gupta
    • [Pw_forum] vc-relax for a Magnetic atom   Huiqun Zhou
      • [Pw_forum] Converting pseudopotentials from CPMD   Merlin Meheut
      • [Pw_forum] Converting pseudopotentials from CPMD   Axel Kohlmeyer
      • [Pw_forum] Converting pseudopotentials from CPMD   Merlin Meheut
      • [Pw_forum] Converting pseudopotentials from CPMD   Axel Kohlmeyer
      • [Pw_forum] Converting pseudopotentials from CPMD   Merlin Meheut
      • [Pw_forum] Converting pseudopotentials from CPMD   Axel Kohlmeyer
      • [Pw_forum] Converting pseudopotentials from CPMD   Paolo Giannozzi
  • [Pw_forum] hi   mariam malmir
    • [Pw_forum] hi   Gabriele Sclauzero
• [Pw_forum] Bands   Winfred Mulwa
  • [Pw_forum] Bands   Lars Matthes
  • [Pw_forum] Bands   Lars Matthes
  • [Pw_forum] Bands   Lars Matthes
• [Pw_forum] DMFT + LDA   Hande Ustunel
  • [Pw_forum] DMFT + LDA   Dmitry Korotin
    • [Pw_forum] DMFT + LDA   Hande Ustunel
• [Pw_forum] Phonon calculations   IYAD AL-QASIR
  • [Pw_forum] Phonon calculations   Seyed Mojtaba Rezaei Sani
• [Pw_forum] Does total force include dispersion force?   WF
  • [Pw_forum] Does total force include dispersion force?   Gabriele Sclauzero
• [Pw_forum] compilation problem   DONG Rui
  • [Pw_forum] compilation problem   Axel Kohlmeyer
• [Pw_forum] PH_DFT+U_Occupation Matrix   IYAD AL-QASIR
  • [Pw_forum] PH_DFT+U_Occupation Matrix   Paolo Giannozzi
  • [Pw_forum] PH_DFT+U_Occupation Matrix   IYAD AL-QASIR
  • [Pw_forum] PH_DFT+U_Occupation Matrix   IYAD AL-QASIR
  • [Pw_forum] PH_DFT+U_Occupation Matrix   Paolo Giannozzi
• [Pw_forum] phonon life time calculation   Tribhuwan Pandey
  • [Pw_forum] phonon life time calculation   Paolo Giannozzi
• [Pw_forum] hybrid xc implemented in QE?   Jun Liu
  • [Pw_forum] hybrid xc implemented in QE?   giuseppe.mattioli at mlib.ism.cnr.it
    • [Pw_forum] hybrid xc implemented in QE?   Axel Kohlmeyer
• [Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?   Wei Zhou
  • [Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?   Paolo Giannozzi
  • [Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?   Wei Zhou
• [Pw_forum] Symmetry rotational matrix   Payam Norouzzadeh
  • [Pw_forum] Symmetry rotational matrix   Paolo Giannozzi
  • [Pw_forum] Symmetry rotational matrix   Stefano Baroni
• [Pw_forum] Query on "e-ph interaction coefficients   Ajit Vallabhaneni
  • [Pw_forum] Query on "e-ph interaction coefficients   Paolo Giannozzi
  • [Pw_forum] Query on "e-ph interaction coefficients   Ajit Vallabhaneni
  • [Pw_forum] Query on "e-ph interaction coefficients   Stefano Baroni
• [Pw_forum] input structure for ibrav=9   Amin Torabi
  • [Pw_forum] input structure for ibrav=9   Paolo Giannozzi
  • [Pw_forum] input structure for ibrav=9   Amin Torabi
  • [Pw_forum] input structure for ibrav=9   Paolo Giannozzi
  • [Pw_forum] Bands of Doped rutile(TiO2)   Winfred Mulwa
• [Pw_forum] Symmetry rotational matrix   Payam Norouzzadeh
• [Pw_forum] input structure for ibrav=9   Éric Germaneau
  • [Pw_forum] input structure for ibrav=9   Paolo Giannozzi
• [Pw_forum] how to make a input file for the vdW_kernel_table   Tian yongchao
• [Pw_forum] PlotPhon Questions...Again   W2AGZ
• [Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss   Dipak Thakur
  • [Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss   Paolo Giannozzi
  • [Pw_forum] dynmat.x - segmentation fault error   "Kacper Drużbicki"
  • [Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss   Eduardo Ariel Menendez Proupin
    • [Pw_forum] site-projected bandstructre   Nicki Frank Hinsche
    • [Pw_forum] site-projected bandstructre   Ari P Seitsonen
  • [Pw_forum] DC & BEC   Suza W
• [Pw_forum] PWgui Locate Error   W2AGZ

Last message date: Wed Nov 30 23:07:49 CET 2011
Archived on: Wed Nov 30 23:17:10 CET 2011

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