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Messages by Date

• 2011/12/12 [Pw_forum] problem with phonon code Paolo Giannozzi
• 2011/12/12 [Pw_forum] B3LYP and fhi2upf.x Paolo Giannozzi
• 2011/12/12 [Pw_forum] B3LYP and fhi2upf.x ali ghafari
• 2011/12/12 [Pw_forum] problem with phonon code damien
• 2011/12/12 [Pw_forum] QE Blue Gene/P Scalapack Paolo Giannozzi
• 2011/12/12 [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90 Paolo Giannozzi
• 2011/12/12 [Pw_forum] query on e-ph matrix element Paolo Giannozzi
• 2011/12/12 [Pw_forum] QE Blue Gene/P Scalapack 程迎春
• 2011/12/12 [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90 Jean-Roch Huntzinger
• 2011/12/12 [Pw_forum] local DOS: how to set nrmin and nrmax Guido Fratesi
• 2011/12/11 [Pw_forum] spin density plot in real space Padmaja Patnaik
• 2011/12/10 [Pw_forum] query on e-ph matrix element Ajit Vallabhaneni
• 2011/12/09 [Pw_forum] why is the tetrahedron interpolated DOS step-like? Eduardo Ariel Menendez Proupin
• 2011/12/09 [Pw_forum] why is the tetrahedron interpolated DOS step-like? Stefano Baroni
• 2011/12/09 [Pw_forum] XSpectrum Stefano Baroni
• 2011/12/09 [Pw_forum] why is the tetrahedron interpolated DOS step-like? Eduardo Ariel Menendez Proupin
• 2011/12/09 [Pw_forum] why is the tetrahedron interpolated DOS step-like? Paolo Giannozzi
• 2011/12/09 [Pw_forum] Al pseudopotential and elastic properties Eduardo Ariel Menendez Proupin
• 2011/12/09 [Pw_forum] why is the tetrahedron interpolated DOS step-like? Eduardo Ariel Menendez Proupin
• 2011/12/08 [Pw_forum] XSpectrum Hanghui Chen
• 2011/12/08 [Pw_forum] newbie question: K-points, funtional choise and PP generation/use Axel Kohlmeyer
• 2011/12/08 [Pw_forum] Al pseudopotential and elastic properties Nicola Marzari
• 2011/12/08 [Pw_forum] Al pseudopotential and elastic properties Jörg Buchwald
• 2011/12/07 [Pw_forum] newbie question: K-points, funtional choise and PP generation/use Пермяков Евгений
• 2011/12/07 [Pw_forum] Display of forces in a pure scf run Stefano Baroni
• 2011/12/07 [Pw_forum] projwfc.x meet error alamgir kabir
• 2011/12/07 [Pw_forum] Display of forces in a pure scf run Cristian Degli Esposti Boschi
• 2011/12/07 [Pw_forum] projwfc.x meet error Gabriele Sclauzero
• 2011/12/07 [Pw_forum] Hexagonal lattice equivalent of fcc(rocksalt-like) phase change Ge2Sb2Te5 (GST) henry odhiambo
• 2011/12/07 [Pw_forum] projwfc.x meet error Paolo Giannozzi
• 2011/12/07 [Pw_forum] projwfc.x meet error jinxi
• 2011/12/07 [Pw_forum] study the phase transition with vc-md or vc-cp Stefano Baroni
• 2011/12/07 [Pw_forum] projwfc.x meet error Gabriele Sclauzero
• 2011/12/07 [Pw_forum] projwfc.x meet error Paolo Giannozzi
• 2011/12/07 [Pw_forum] A minor mistype in INPUT_PW doc? Paolo Giannozzi
• 2011/12/07 [Pw_forum] A minor mistype in INPUT_PW doc? WF
• 2011/12/07 [Pw_forum] projwfc.x meet error jinxi
• 2011/12/06 [Pw_forum] neb calculation Prasenjit Ghosh
• 2011/12/06 [Pw_forum] Display of forces in a pure scf run Axel Kohlmeyer
• 2011/12/06 [Pw_forum] Display of forces in a pure scf run Stefano Baroni
• 2011/12/06 [Pw_forum] Display of forces in a pure scf run Cristian Degli Esposti Boschi
• 2011/12/06 [Pw_forum] Query about O.pbe-rrkjus.UPF Pseudopotential Paolo Giannozzi
• 2011/12/06 [Pw_forum] Query about O.pbe-rrkjus.UPF Pseudopotential Lorenzo Paulatto
• 2011/12/06 [Pw_forum] Query about O.pbe-rrkjus.UPF Pseudopotential Shaptrishi Sharma
• 2011/12/06 [Pw_forum] local DOS: how to set nrmin and nrmax jinxi
• 2011/12/06 [Pw_forum] study the phase transition with vc-md or vc-cp Lily Anh
• 2011/12/05 [Pw_forum] vc-md temperature increases Paolo Giannozzi
• 2011/12/05 [Pw_forum] vc-md temperature increases Lily Anh
• 2011/12/05 [Pw_forum] vc-md temperature increases Paolo Giannozzi
• 2011/12/05 [Pw_forum] RE : vc-md temperature increases BARRETEAU Cyrille
• 2011/12/05 [Pw_forum] vc-md temperature increases Mike Mehl
• 2011/12/05 [Pw_forum] band structure for a 72 C atom supercell Elie M
• 2011/12/05 [Pw_forum] Atomic position for Li15Si4 Stefano Baroni
• 2011/12/05 [Pw_forum] vc-md temperature increases Lily Anh
• 2011/12/05 [Pw_forum] band structure for a 72 C atom supercell lfhuang
• 2011/12/04 [Pw_forum] band structure for a 72 C atom supercell Gabriele Sclauzero
• 2011/12/04 [Pw_forum] R: Re: R: Re: metallic BP? giacsp...@libero.it
• 2011/12/04 [Pw_forum] wavefunction and symmetries Stefano Baroni
• 2011/12/04 [Pw_forum] R: Re: metallic BP? Paolo Giannozzi
• 2011/12/04 [Pw_forum] R: Re: metallic BP? giacsp...@libero.it
• 2011/12/04 [Pw_forum] Phonon benchmark Paolo Giannozzi
• 2011/12/04 [Pw_forum] metallic BP? Paolo Giannozzi
• 2011/12/04 [Pw_forum] band structure for a 72 C atom supercell WF
• 2011/12/04 [Pw_forum] band structure for a 72 C atom supercell lfhuang
• 2011/12/03 [Pw_forum] metallic BP? Éric Germaneau
• 2011/12/03 [Pw_forum] metallic BP? giacsp...@libero.it
• 2011/12/03 [Pw_forum] Problem with Raman and Infrared Active Modes: SOLVED Turan Birol
• 2011/12/03 [Pw_forum] Atomic position for Li15Si4 Omileke Peter
• 2011/12/03 [Pw_forum] band structure for a 72 C atom supercell Elie M
• 2011/12/03 [Pw_forum] band structure for a 72 C atom supercell WF
• 2011/12/03 [Pw_forum] metallic BP? Éric Germaneau
• 2011/12/03 [Pw_forum] band structure for a 72 C atom supercell Elie M
• 2011/12/03 [Pw_forum] Problem with Raman and Infrared Active Modes: SOLVED Paolo Giannozzi
• 2011/12/03 [Pw_forum] metallic BP? Paolo Giannozzi
• 2011/12/03 [Pw_forum] metallic BP? giacsp...@libero.it
• 2011/12/02 [Pw_forum] metallic BP? giacsp...@libero.it
• 2011/12/02 [Pw_forum] Problem with Raman and Infrared Active Modes: SOLVED HASAN SAHIN
• 2011/12/02 [Pw_forum] wavefunction and symmetries Michele Pisarra
• 2011/12/01 [Pw_forum] wavefunction and symmetries Paolo Giannozzi
• 2011/12/01 [Pw_forum] PlotPhon Questions...Again Paolo Giannozzi
• 2011/12/01 [Pw_forum] Equation of state Mike Mehl
• 2011/12/01 [Pw_forum] DC & BEC Suza W
• 2011/12/01 [Pw_forum] dvscf for dielectric response Paolo Giannozzi
• 2011/12/01 [Pw_forum] wavefunction and symmetries Michele Pisarra
• 2011/12/01 [Pw_forum] Equation of state Paolo Giannozzi
• 2011/12/01 [Pw_forum] Equation of state Payam Norouzzadeh
• 2011/12/01 [Pw_forum] FFLAGS in make.sys Paolo Giannozzi
• 2011/12/01 [Pw_forum] FFLAGS in make.sys Mahmoud Payami
• 2011/12/01 [Pw_forum] pseudopotential (Hanghui Chen) Matteo Calandra
• 2011/12/01 [Pw_forum] dynmat.x - segmentation fault error Paolo Giannozzi
• 2011/12/01 [Pw_forum] DC & BEC Nicola Marzari
• 2011/11/30 [Pw_forum] PWgui Locate Error Tone Kokalj
• 2011/11/30 [Pw_forum] DC & BEC Paolo Giannozzi
• 2011/11/30 [Pw_forum] dynmat.x - segmentation fault error Paolo Giannozzi
• 2011/11/30 [Pw_forum] pseudopotential Hanghui Chen
• 2011/11/30 [Pw_forum] dvscf for dielectric response David Strubbe
• 2011/11/30 [Pw_forum] DC & BEC Chengyang Li
• 2011/11/30 [Pw_forum] site-projected bandstructre Ari P Seitsonen
• 2011/11/30 [Pw_forum] PWgui Locate Error W2AGZ
• 2011/11/30 [Pw_forum] DC & BEC Suza W
• 2011/11/30 [Pw_forum] Phonon calculations Seyed Mojtaba Rezaei Sani
• 2011/11/30 [Pw_forum] dynmat.x - segmentation fault error "Kacper Drużbicki"
• 2011/11/30 [Pw_forum] site-projected bandstructre Nicki Frank Hinsche
• 2011/11/30 [Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss Eduardo Ariel Menendez Proupin
• 2011/11/29 [Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss Paolo Giannozzi
• 2011/11/29 [Pw_forum] change in Fermi Energy with ecutoff, Vacuum and degauss Dipak Thakur
• 2011/11/29 [Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa? Wei Zhou
• 2011/11/29 [Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa? Paolo Giannozzi
• 2011/11/28 [Pw_forum] PlotPhon Questions...Again W2AGZ
• 2011/11/28 [Pw_forum] how to make a input file for the vdW_kernel_table Tian yongchao
• 2011/11/28 [Pw_forum] input structure for ibrav=9 Éric Germaneau
• 2011/11/28 [Pw_forum] Symmetry rotational matrix Payam Norouzzadeh
• 2011/11/28 [Pw_forum] Query on "e-ph interaction coefficients Stefano Baroni
• 2011/11/28 [Pw_forum] Symmetry rotational matrix Stefano Baroni
• 2011/11/28 [Pw_forum] Query on "e-ph interaction coefficients Ajit Vallabhaneni
• 2011/11/28 [Pw_forum] Symmetry rotational matrix Paolo Giannozzi
• 2011/11/28 [Pw_forum] Query on "e-ph interaction coefficients Paolo Giannozzi
• 2011/11/28 [Pw_forum] input structure for ibrav=9 Paolo Giannozzi
• 2011/11/28 [Pw_forum] input structure for ibrav=9 Amin Torabi
• 2011/11/28 [Pw_forum] Bands of Doped rutile(TiO2) Winfred Mulwa
• 2011/11/28 [Pw_forum] input structure for ibrav=9 Paolo Giannozzi
• 2011/11/27 [Pw_forum] input structure for ibrav=9 Paolo Giannozzi
• 2011/11/27 [Pw_forum] input structure for ibrav=9 Amin Torabi
• 2011/11/27 [Pw_forum] Query on "e-ph interaction coefficients Ajit Vallabhaneni
• 2011/11/27 [Pw_forum] phonon life time calculation Paolo Giannozzi
• 2011/11/27 [Pw_forum] Symmetry rotational matrix Payam Norouzzadeh
• 2011/11/27 [Pw_forum] hybrid xc implemented in QE? Axel Kohlmeyer
• 2011/11/27 [Pw_forum] hybrid xc implemented in QE? giuseppe.matti...@mlib.ism.cnr.it
• 2011/11/27 [Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa? Wei Zhou
• 2011/11/26 [Pw_forum] hybrid xc implemented in QE? Jun Liu
• 2011/11/26 [Pw_forum] phonon life time calculation Tribhuwan Pandey
• 2011/11/26 [Pw_forum] PH_DFT+U_Occupation Matrix Paolo Giannozzi
• 2011/11/25 [Pw_forum] PH_DFT+U_Occupation Matrix IYAD AL-QASIR
• 2011/11/25 [Pw_forum] PH_DFT+U_Occupation Matrix IYAD AL-QASIR
• 2011/11/25 [Pw_forum] PH_DFT+U_Occupation Matrix Paolo Giannozzi
• 2011/11/25 [Pw_forum] PH_DFT+U_Occupation Matrix IYAD AL-QASIR
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Paolo Giannozzi
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Axel Kohlmeyer
• 2011/11/25 [Pw_forum] DMFT + LDA Hande Ustunel
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Merlin Meheut
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Axel Kohlmeyer
• 2011/11/25 [Pw_forum] DMFT + LDA Dmitry Korotin
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Merlin Meheut
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Axel Kohlmeyer
• 2011/11/25 [Pw_forum] Converting pseudopotentials from CPMD Merlin Meheut
• 2011/11/24 [Pw_forum] vc-relax for a Magnetic atom Huiqun Zhou
• 2011/11/24 [Pw_forum] compilation problem Axel Kohlmeyer
• 2011/11/24 [Pw_forum] compilation problem DONG Rui
• 2011/11/24 [Pw_forum] Does total force include dispersion force? Gabriele Sclauzero
• 2011/11/24 [Pw_forum] Does total force include dispersion force? WF
• 2011/11/23 [Pw_forum] Fermi energy from scf calculation Paolo Giannozzi
• 2011/11/23 [Pw_forum] Fermi energy from scf calculation Tram Bui
• 2011/11/23 [Pw_forum] Phonon calculations IYAD AL-QASIR
• 2011/11/23 [Pw_forum] DMFT + LDA Hande Ustunel
• 2011/11/23 [Pw_forum] paw pp for Boron? Amin Torabi
• 2011/11/23 [Pw_forum] Bands Lars Matthes
• 2011/11/23 [Pw_forum] Bands Lars Matthes
• 2011/11/23 [Pw_forum] Bands Lars Matthes
• 2011/11/23 [Pw_forum] Bands Winfred Mulwa
• 2011/11/23 [Pw_forum] hi Gabriele Sclauzero
• 2011/11/23 [Pw_forum] Fermi energy from scf calculation Gabriele Sclauzero
• 2011/11/23 [Pw_forum] hi mariam malmir
• 2011/11/23 [Pw_forum] G-vector in scf calculation Gabriele Sclauzero
• 2011/11/23 [Pw_forum] vc-relax for a Magnetic atom Sanjeev Gupta
• 2011/11/23 [Pw_forum] vc-relax for a Magnetic atom Ali ALLAM
• 2011/11/22 [Pw_forum] Fixing magnetization in a given direction for "vc-relax" or relax calculations mohnish pandey
• 2011/11/22 [Pw_forum] G-vector in scf calculation Tram Bui
• 2011/11/22 [Pw_forum] Fermi energy from scf calculation Tram Bui
• 2011/11/22 [Pw_forum] Phonon calculations Paolo Giannozzi
• 2011/11/22 [Pw_forum] Phonon calculations Lorenzo Paulatto
• 2011/11/22 [Pw_forum] Phonon calculations henry odhiambo
• 2011/11/22 [Pw_forum] Call for contributions Layla Martin-Samos
• 2011/11/22 [Pw_forum] unallocated variable Paolo Giannozzi
• 2011/11/21 [Pw_forum] SCF calculations do not converge mohnish pandey
• 2011/11/21 [Pw_forum] (no subject) Mahdi Faqieh nasiri
• 2011/11/21 [Pw_forum] unallocated variable David Strubbe
• 2011/11/21 [Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc Eduardo Ariel Menendez Proupin
• 2011/11/21 [Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc Nicola Marzari
• 2011/11/21 [Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc Vic Bermudez
• 2011/11/21 [Pw_forum] SCF calculations do not converge IYAD AL-QASIR
• 2011/11/21 [Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox Axel Kohlmeyer
• 2011/11/21 [Pw_forum] PlotPhon Examples Paolo Giannozzi
• 2011/11/21 [Pw_forum] ploting difference in charge density vicky singh
• 2011/11/21 [Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox Paolo Giannozzi
• 2011/11/21 [Pw_forum] PlotPhon Examples GAO Zhe
• 2011/11/20 [Pw_forum] Segmentation Faults - Running QE-4.3.2 under Kubutu 11.10 within Latest Oracle Virtualbox W2AGZ
• 2011/11/20 [Pw_forum] PlotPhon Examples W2AGZ
• 2011/11/20 [Pw_forum] paw pp for Boron? Amin Torabi
• 2011/11/20 [Pw_forum] Query on phonon dispersion Paolo Giannozzi
• 2011/11/20 [Pw_forum] Query on phonon dispersion Ajit Vallabhaneni
• 2011/11/20 [Pw_forum] Query on phonon dispersion Lorenzo Paulatto
• 2011/11/20 [Pw_forum] Query on phonon dispersion Ajit Vallabhaneni
• 2011/11/19 [Pw_forum] crash in pslibrary.0.2.2 David Strubbe
• 2011/11/18 [Pw_forum] crash in pslibrary.0.2.2 Nicola Marzari
• 2011/11/18 [Pw_forum] crash in pslibrary.0.2.2 David Strubbe
• 2011/11/18 [Pw_forum] US pseudopotential generation Tram Bui
• 2011/11/18 [Pw_forum] error in berry phase calculation swapnil chandratre
• 2011/11/18 [Pw_forum] parallel computing for phonon calculations Paolo Giannozzi
• 2011/11/18 [Pw_forum] Obtaining SCF convergence for Relax Calculation Paolo Giannozzi
• 2011/11/18 [Pw_forum] 'wf_collect' question Paolo Giannozzi

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