December 2011 Archives by date

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Starting: Thu Dec 1 00:00:59 CET 2011
Ending: Sat Dec 31 17:52:53 CET 2011
Messages: 218

• [Pw_forum] DC & BEC   Chengyang Li
• [Pw_forum] dvscf for dielectric response   David Strubbe
• [Pw_forum] pseudopotential   Hanghui Chen
• [Pw_forum] dynmat.x - segmentation fault error   Paolo Giannozzi
• [Pw_forum] DC & BEC   Paolo Giannozzi
• [Pw_forum] PWgui Locate Error   Tone Kokalj
• [Pw_forum] DC & BEC   Nicola Marzari
• [Pw_forum] dynmat.x - segmentation fault error   Paolo Giannozzi
• [Pw_forum] pseudopotential (Hanghui Chen)   Matteo Calandra
• [Pw_forum] FFLAGS in make.sys   Mahmoud Payami
• [Pw_forum] FFLAGS in make.sys   Paolo Giannozzi
• [Pw_forum] Equation of state   Payam Norouzzadeh
• [Pw_forum] Equation of state   Paolo Giannozzi
• [Pw_forum] wavefunction and symmetries   Michele Pisarra
• [Pw_forum] dvscf for dielectric response   Paolo Giannozzi
• [Pw_forum] DC & BEC   Suza W
• [Pw_forum] Equation of state   Mike Mehl
• [Pw_forum] PlotPhon Questions...Again   Paolo Giannozzi
• [Pw_forum] wavefunction and symmetries   Paolo Giannozzi
• [Pw_forum] wavefunction and symmetries   Michele Pisarra
• [Pw_forum] Problem with Raman and Infrared Active Modes: SOLVED   HASAN SAHIN
• [Pw_forum] metallic BP?   giacsport at libero.it
• [Pw_forum] metallic BP?   giacsport at libero.it
• [Pw_forum] metallic BP?   Paolo Giannozzi
• [Pw_forum] Problem with Raman and Infrared Active Modes: SOLVED   Paolo Giannozzi
• [Pw_forum] band structure for a 72 C atom supercell   Elie M
• [Pw_forum] metallic BP?   Éric Germaneau
• [Pw_forum] band structure for a 72 C atom supercell   WF
• [Pw_forum] band structure for a 72 C atom supercell   Elie M
• [Pw_forum] Atomic position for Li15Si4   Omileke Peter
• [Pw_forum] Problem with Raman and Infrared Active Modes: SOLVED   Turan Birol
• [Pw_forum] metallic BP?   giacsport at libero.it
• [Pw_forum] metallic BP?   Éric Germaneau
• [Pw_forum] band structure for a 72 C atom supercell   lfhuang
• [Pw_forum] band structure for a 72 C atom supercell   WF
• [Pw_forum] metallic BP?   Paolo Giannozzi
• [Pw_forum] Phonon benchmark   Paolo Giannozzi
• [Pw_forum] R: Re: metallic BP?   giacsport at libero.it
• [Pw_forum] R: Re: metallic BP?   Paolo Giannozzi
• [Pw_forum] wavefunction and symmetries   Stefano Baroni
• [Pw_forum] R: Re: R: Re: metallic BP?   giacsport at libero.it
• [Pw_forum] band structure for a 72 C atom supercell   Gabriele Sclauzero
• [Pw_forum] band structure for a 72 C atom supercell   lfhuang
• [Pw_forum] vc-md temperature increases   Lily Anh
• [Pw_forum] Atomic position for Li15Si4   Stefano Baroni
• [Pw_forum] band structure for a 72 C atom supercell   Elie M
• [Pw_forum] vc-md temperature increases   Mike Mehl
• [Pw_forum] RE : vc-md temperature increases   BARRETEAU Cyrille
• [Pw_forum] vc-md temperature increases   Paolo Giannozzi
• [Pw_forum] vc-md temperature increases   Lily Anh
• [Pw_forum] vc-md temperature increases   Paolo Giannozzi
• [Pw_forum] study the phase transition with vc-md or vc-cp   Lily Anh
• [Pw_forum] local DOS: how to set nrmin and nrmax   jinxi
• [Pw_forum] Query about O.pbe-rrkjus.UPF Pseudopotential   Shaptrishi Sharma
• [Pw_forum] Query about O.pbe-rrkjus.UPF Pseudopotential   Lorenzo Paulatto
• [Pw_forum] Query about O.pbe-rrkjus.UPF Pseudopotential   Paolo Giannozzi
• [Pw_forum] Display of forces in a pure scf run   Cristian Degli Esposti Boschi
• [Pw_forum] Display of forces in a pure scf run   Stefano Baroni
• [Pw_forum] Display of forces in a pure scf run   Axel Kohlmeyer
• [Pw_forum] neb calculation   Prasenjit Ghosh
• [Pw_forum] projwfc.x meet error   jinxi
• [Pw_forum] A minor mistype in INPUT_PW doc?   WF
• [Pw_forum] A minor mistype in INPUT_PW doc?   Paolo Giannozzi
• [Pw_forum] projwfc.x meet error   Paolo Giannozzi
• [Pw_forum] projwfc.x meet error   Gabriele Sclauzero
• [Pw_forum] study the phase transition with vc-md or vc-cp   Stefano Baroni
• [Pw_forum] projwfc.x meet error   jinxi
• [Pw_forum] projwfc.x meet error   Paolo Giannozzi
• [Pw_forum] Hexagonal lattice equivalent of fcc(rocksalt-like) phase change Ge2Sb2Te5 (GST)   henry odhiambo
• [Pw_forum] projwfc.x meet error   Gabriele Sclauzero
• [Pw_forum] Display of forces in a pure scf run   Cristian Degli Esposti Boschi
• [Pw_forum] projwfc.x meet error   alamgir kabir
• [Pw_forum] Display of forces in a pure scf run   Stefano Baroni
• [Pw_forum] newbie question: K-points, funtional choise and PP generation/use   Пермяков Евгений
• [Pw_forum] Al pseudopotential and elastic properties   Jörg Buchwald
• [Pw_forum] Al pseudopotential and elastic properties   Nicola Marzari
• [Pw_forum] newbie question: K-points, funtional choise and PP generation/use   Axel Kohlmeyer
• [Pw_forum] XSpectrum   Hanghui Chen
• [Pw_forum] why is the tetrahedron interpolated DOS step-like?   Eduardo Ariel Menendez Proupin
• [Pw_forum] Al pseudopotential and elastic properties   Eduardo Ariel Menendez Proupin
• [Pw_forum] why is the tetrahedron interpolated DOS step-like?   Paolo Giannozzi
• [Pw_forum] why is the tetrahedron interpolated DOS step-like?   Eduardo Ariel Menendez Proupin
• [Pw_forum] XSpectrum   Stefano Baroni
• [Pw_forum] why is the tetrahedron interpolated DOS step-like?   Stefano Baroni
• [Pw_forum] why is the tetrahedron interpolated DOS step-like?   Eduardo Ariel Menendez Proupin
• [Pw_forum] query on e-ph matrix element   Ajit Vallabhaneni
• [Pw_forum] spin density plot in real space   Padmaja Patnaik
• [Pw_forum] local DOS: how to set nrmin and nrmax   Guido Fratesi
• [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Jean-Roch Huntzinger
• [Pw_forum] QE Blue Gene/P Scalapack   程迎春
• [Pw_forum] query on e-ph matrix element   Paolo Giannozzi
• [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Paolo Giannozzi
• [Pw_forum] QE Blue Gene/P Scalapack   Paolo Giannozzi
• [Pw_forum] problem with phonon code   damien
• [Pw_forum] B3LYP and fhi2upf.x   ali ghafari
• [Pw_forum] B3LYP and fhi2upf.x   Paolo Giannozzi
• [Pw_forum] problem with phonon code   Paolo Giannozzi
• [Pw_forum] problem with phonon code   damien
• [Pw_forum] neb calculation   Paolo Giannozzi
• [Pw_forum] query on e-ph matrix element   Ajit Vallabhaneni
• [Pw_forum] B3LYP and fhi2upf.x   IYAD AL-QASIR
• [Pw_forum] spin density plot in real space   Axel Kohlmeyer
• [Pw_forum] query on e-ph matrix element   Paolo Giannozzi
• [Pw_forum] query on e-ph matrix element   Ajit Vallabhaneni
• [Pw_forum] query on e-ph matrix element   Axel Kohlmeyer
• [Pw_forum] How to achieve the convergence of Ecutrho?   陶鹏
• [Pw_forum] How to achieve the convergence of Ecutrho?   WF
• [Pw_forum] How to achieve the convergence of Ecutrho?   Guido Fratesi
• [Pw_forum] How to achieve the convergence of Ecutrho?   GAO Zhe
• [Pw_forum] el_phon   Demjén Tamás
• [Pw_forum] software to draw phonon spectra for windows   Liwei Geng
• [Pw_forum] software to draw phonon spectra for windows   GAO Zhe
• [Pw_forum] Dear Dr. Sclauzero,   Gabriele Sclauzero
• [Pw_forum] 1D systems   Michele Pisarra
• [Pw_forum] from cdiaghg : error # 2012 diagonalization (ZHEGV*) failed   pmoreira at ifi.unicamp.br
• [Pw_forum] Hybrid functional pressure   Azadi, Sam
• [Pw_forum] Hybrid functional pressure   Axel Kohlmeyer
• [Pw_forum] md simulation   bhabya sahoo
• [Pw_forum] 1D systems   Stefano Baroni
• [Pw_forum] md simulation   Stefano Baroni
• [Pw_forum] Hybrid functional pressure   Paolo Giannozzi
• [Pw_forum] Hybrid functional pressure   Stefano Baroni
• [Pw_forum] Does QE support the old MPICH and gfortran?   GAO Zhe
• [Pw_forum] Application of LDA+U to Ce psp with zero 4f occupation   Chan-Woo Lee
• [Pw_forum] Application of LDA+U to Ce psp with zero 4f occupation   Matteo Cococcioni
• [Pw_forum] how to construct supercell for an fcc crystal compound   bamidele ibrahim
• [Pw_forum] Does QE support the old MPICH and gfortran?   Paolo Giannozzi
• [Pw_forum] Hybrid functional pressure   Davide Ceresoli
• [Pw_forum] how to construct supercell for an fcc crystal compound   Stefano Baroni
• [Pw_forum] Re : how to construct supercell for an fcc crystal compound   Abdeslam Houari
• [Pw_forum] how to construct supercell for an fcc crystal compound   Alex Shearer
• [Pw_forum] Re : how to construct supercell for an fcc crystal compound   Giovanni La Penna
• [Pw_forum] Re : how to construct supercell for an fcc crystal compound   mohnish pandey
• [Pw_forum] Re : how to construct supercell for an fcc crystal compound   Giuseppe Mattioli
• [Pw_forum] how to construct supercell for an fcc crystal compound   Arles V. Gil Rebaza
• [Pw_forum] Hybrid functional for non-scf   ali ghafari
• [Pw_forum] Hybrid functional for non-scf   Giuseppe Mattioli
• [Pw_forum] From a friend at Zipcar   canepap at wfu.edu
• [Pw_forum] query on e-ph matrix element   Hua Bao
• [Pw_forum] heavier elements with empirical dispersion don't work   Martin Andersson
• [Pw_forum] heavier elements with empirical dispersion don't work [SOLVED]   Martin Andersson
• [Pw_forum] heavier elements with empirical dispersion don't work   Paolo Giannozzi
• [Pw_forum] electron-phonon matrix element - relationship between npert and nu   Hua Bao
• [Pw_forum] hybrid functional error   Yunpeng Wang
• [Pw_forum] hybrid functional error   Paolo Giannozzi
• [Pw_forum] hybrid functional error   Paolo Giannozzi
• [Pw_forum] hybrid functional error   Peter Wang
• [Pw_forum] hybrid functional error   hannu.komsa at epfl.ch
• [Pw_forum] Restarting a Geometry Optimization   Vic Bermudez
• [Pw_forum] hybrid functional error   Peter Wang
• [Pw_forum] Restarting a Geometry Optimization   Paolo Giannozzi
• [Pw_forum] Restarting a Geometry Optimization   Stefano de Gironcoli
• [Pw_forum] from cdiaghg : error # 2012 diagonalization (ZHEGV*) failed   Paolo Giannozzi
• [Pw_forum] electron-phonon matrix element - relationship between npert and nu   Paolo Giannozzi
• [Pw_forum] hybrid functional error   Paolo Giannozzi
• [Pw_forum] PP generation and plotting ld1 output   Пермяков Евгений
• [Pw_forum] electron-phonon matrix element - relationship between npert and nu   Ajit Vallabhaneni
• [Pw_forum] X-ray diffraction   mohaddeseh abbasnejad
• [Pw_forum] Fwd: No subject   Divya Srivastava
• [Pw_forum] Fwd: No subject   Yunpeng Wang
• [Pw_forum] electron-phonon matrix element - relationship between npert and nu   Paolo Giannozzi
• [Pw_forum] PP generation and plotting ld1 output   Paolo Giannozzi
• [Pw_forum] PP generation and plotting ld1 output   Emine Kucukbenli
• [Pw_forum] PP generation and plotting ld1 output   Евгений Пермяков
• [Pw_forum] PP generation and plotting ld1 output   Евгений Пермяков
• [Pw_forum] electron-phonon matrix element - relationship between npert and nu   Lorenzo Paulatto
• [Pw_forum] homo lumo   yaldaa kh
• [Pw_forum] Explanation required for file.anh_G in quantum espresso   Tribhuwan Pandey
• [Pw_forum] core_hole   Eugenio Furtado
• [Pw_forum] homo lumo   Stefano Baroni
• [Pw_forum] Explanation required for file.anh_G in quantum espresso   Paolo Giannozzi
• [Pw_forum] PP generation and plotting ld1 output   Paolo Giannozzi
• [Pw_forum] dynmat.x - segmentation fault error   "Kacper Drużbicki"
• [Pw_forum] core_hole   Paolo Giannozzi
• [Pw_forum] core_hole   Giuseppe Mattioli
• [Pw_forum] core_hole   Giuseppe Mattioli
• [Pw_forum] core_hole   Eugenio Furtado
• [Pw_forum] core_hole   Giuseppe Mattioli
• [Pw_forum] core_hole   Paolo Giannozzi
• [Pw_forum] core_hole   Eugenio Furtado
• [Pw_forum] SCF correction compared to forces is too large.   Sonu Kumar
• [Pw_forum] SCF correction compared to forces is too large.   Guido Fratesi
• [Pw_forum] SCF correction compared to forces is too large.   Sonu Kumar
• [Pw_forum] Phonons in CsCl type structured materials....   Shyam Khambholja
• [Pw_forum] Fwd: Atoms moving into Vacuum   Dipak Thakur
• [Pw_forum] Fwd: Atoms moving into Vacuum   Paolo Giannozzi
• [Pw_forum] Fwd: Atoms moving into Vacuum   Guido Fratesi
• [Pw_forum] Normalization of the Wave Functions   Michele Pisarra
• [Pw_forum] Normalization of the Wave Functions   Axel Kohlmeyer
• [Pw_forum] Normalization of the Wave Functions   Giovanni La Penna
• [Pw_forum] pwcond diff leads with some shift in space   mary bababarghi
• [Pw_forum] Calculation of orthorhombic lattice parameters from the basis vecotrs   yedu kondalu
• [Pw_forum] Electric field calculation   Niharika Joshi
• [Pw_forum] Issue regarding reciprocal path in band calculation   Éric Germaneau
• [Pw_forum] Issue regarding reciprocal path in band calculation   Éric Germaneau
• [Pw_forum] Calculation of orthorhombic lattice parameters from the basis vecotrs   Éric Germaneau
• [Pw_forum] question regarding an error on pseudo potential generation output file   Tram Bui
• [Pw_forum] difference between "vc-md" and "vc-relax"   wangwei
• [Pw_forum] Electric field calculation   mohnish pandey
• [Pw_forum] help regarding phonon life time calculation   Tribhuwan Pandey
• [Pw_forum] help regarding phonon life time calculation   bramha pandey
• [Pw_forum] help regarding phonon life time calculation   mohnish pandey
• [Pw_forum] help regarding phonon life time calculation   Axel Kohlmeyer
• [Pw_forum] beta tin structure   bhabya sahoo
• [Pw_forum] orthogonality of phonon eigenvectors?   Sonu Kumar
• [Pw_forum] Electric field calculation   Paolo Giannozzi
• [Pw_forum] Fwd: beta tin structure   bhabya sahoo
• [Pw_forum] NEB: wild changes in image energies   Chad Junkermeier
• [Pw_forum] Anharmonic force constants (example 14)   Hua Bao
• [Pw_forum] Problems with magnetic moment of fcc iron Buldashev Ivan   Иван Булдашев
• [Pw_forum] Problems with magnetic moment of fcc iron Buldashev Ivan   Arles V. Gil Rebaza
• [Pw_forum] orthogonality of phonon eigenvectors?   Stefano Baroni
• [Pw_forum] orthogonality of phonon eigenvectors?   Suza W
• [Pw_forum] How to test pseudo potential for non-metallic element?   WF
• [Pw_forum] NEB: wild changes in image energies   Layla Martin-Samos
• [Pw_forum] How to test pseudo potential for non-metallic element?   Axel Kohlmeyer
• [Pw_forum] How to test pseudo potential for non-metallic element?   Giovani Faccin
• [Pw_forum] How to test pseudo potential for non-metallic element?   WF

Last message date: Sat Dec 31 17:52:53 CET 2011
Archived on: Sat Dec 31 17:52:59 CET 2011

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