May 2013 Archives by thread

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Starting: Wed May 1 06:38:00 CEST 2013
Ending: Fri May 31 23:41:40 CEST 2013
Messages: 305

• [Pw_forum] restarts   vijaya subramanian
  • [Pw_forum] restarts   bamidele ibrahim
• [Pw_forum] QHA example   Elias Albert
  • [Pw_forum] QHA example   Bramha Pandey
    • [Pw_forum] QHA example   Elias Albert
      • [Pw_forum] QHA example   Bramha Pandey
• [Pw_forum] phonon dispersion with experimental structure   ding
  • [Pw_forum] phonon dispersion with experimental structure   Stefano de Gironcoli
  • [Pw_forum] phonon dispersion with experimental structure   ding
    • [Pw_forum] phonon dispersion with experimental structure   Axel Kohlmeyer
• [Pw_forum] [Q-e-gpgpu] GPU Amount Memory   Filippo Spiga
  • [Pw_forum] GPU Amount Memory   Rafael Ribadeneira
• [Pw_forum] FX8350 and Quantum Espresso   Filippo Spiga
• [Pw_forum] problem with pp.x   Marzieh Salimi
• [Pw_forum] md output   Sakhrawi Taoufek
• [Pw_forum] QHA example (Elias Albert)   zafar rasheed
  • [Pw_forum] QHA example (Elias Albert)   Bramha Pandey
• [Pw_forum] Charge density at any k-point in the Brillouin zone   koushik pal
  • [Pw_forum] Charge density at any k-point in the Brillouin zone   Lorenzo Paulatto
  • [Pw_forum] Charge density at any k-point in the Brillouin zone   Paolo Giannozzi
  • [Pw_forum] Charge density at any k-point in the Brillouin zone   koushik pal
    • [Pw_forum] Charge density at any k-point in the Brillouin zone   xirainbow
    • [Pw_forum] Charge density at any k-point in the Brillouin zone   Lorenzo Paulatto
• [Pw_forum] Reg:Thermodynamic calculations.   Peram sreenivasa reddy
• [Pw_forum] "not orthogonal operation" during vc-relax when optimizing graphene   Peng Tao
  • [Pw_forum] "not orthogonal operation" during vc-relax when optimizing graphene   mohnish pandey
    • [Pw_forum] "not orthogonal operation" during vc-relax when optimizing graphene   Giovanni Pizzi
• [Pw_forum] Pression explose   Sakhrawi Taoufek
• [Pw_forum] Electro-optic tensor contribution   xirainbow
• [Pw_forum] Charge density at any k-point in the Brillouin   koushik pal
• [Pw_forum] electron-phonon interaction Spectral function a2F(w) is negative.   李晓川
• [Pw_forum] USPP for Bi   Q.J.Wang
  • [Pw_forum] USPP for Bi   Bramha Pandey
• [Pw_forum] PHonon versions 5.0.2/5.0.3 can give very different frequencies as compared to older versions and the latest SVN builds   Brad Malone
  • [Pw_forum] PHonon versions 5.0.2/5.0.3 can give very different frequencies as compared to older versions and the latest SVN builds   Brad Malone
• [Pw_forum] 'not orthogonal operation' problem   Ker Park
• [Pw_forum] [100] surface relaxation of Al   Denis Davydov
  • [Pw_forum] [100] surface relaxation of Al   Nicola Marzari
    • [Pw_forum] [100] surface relaxation of Al   Denis Davydov
      • [Pw_forum] [100] surface relaxation of Al   Nicola Marzari
• [Pw_forum] Details of partial density of states calculation   Holzwarth, Natalie
  • [Pw_forum] Details of partial density of states calculation   Holzwarth, Natalie
    • [Pw_forum] Details of partial density of states calculation   Lorenzo Paulatto
      • [Pw_forum] Details of partial density of states calculation   Holzwarth, Natalie
      • [Pw_forum] Details of partial density of states calculation   Stefano de Gironcoli
      • [Pw_forum] Details of partial density of states calculation   Holzwarth, Natalie
      • [Pw_forum] Details of partial density of states calculation   Lorenzo Paulatto
• [Pw_forum] Fwd:   Maedeh Zahedifar
  • [Pw_forum] Fwd:   Paolo Giannozzi
• [Pw_forum] A quick question about the derivative of enhancement factor in HSE   mohnish pandey
• [Pw_forum] symmetry Sq=-q+G in Quantum Espresso-5.0.2 patched   Maksim Markov
  • [Pw_forum] Correct patches for Quantum Espresso v5.0.2   Paolo Giannozzi
    • [Pw_forum] Correct patches for Quantum Espresso v5.0.2   Wei-Bing Zhang
    • [Pw_forum] Correct patches for Quantum Espresso v5.0.2   Thomas Gruber
      • [Pw_forum] Correct patches for Quantum Espresso v5.0.2   Paolo Giannozzi
      • [Pw_forum] Correct patches for Quantum Espresso v5.0.2   Surender
      • [Pw_forum] Correct patches for Quantum Espresso v5.0.2   Paolo Giannozzi
• [Pw_forum] .   Yongsheng Zhang
• [Pw_forum] Error in phonon calculations   Peram sreenivasa reddy
• [Pw_forum] Questions on pseudo potentials   Yantao Wu
  • [Pw_forum] Questions on pseudo potentials   Axel Kohlmeyer
  • [Pw_forum] Questions on pseudo potentials   veronica sanchez
  • [Pw_forum] Questions on pseudo potentials   Stefano de Gironcoli
• [Pw_forum] Performance problems due to files in outdir   Henning Glawe
  • [Pw_forum] Performance problems due to files in outdir   Paolo Giannozzi
    • [Pw_forum] Performance problems due to files in outdir   Henning Glawe
      • [Pw_forum] Performance problems due to files in outdir   Paolo Giannozzi
      • [Pw_forum] Performance problems due to files in outdir   Henning Glawe
  • [Pw_forum] Performance problems due to files in outdir   Axel Kohlmeyer
    • [Pw_forum] Performance problems due to files in outdir   Henning Glawe
      • [Pw_forum] Performance problems due to files in outdir   Paolo Giannozzi
      • [Pw_forum] Performance problems due to files in outdir   Henning Glawe
      • [Pw_forum] Performance problems due to files in outdir   Paolo Giannozzi
    • [Pw_forum] Performance problems due to files in outdir   Paolo Giannozzi
      • [Pw_forum] Performance problems due to files in outdir   Henning Glawe
• [Pw_forum] Error in routine mix_rho (1): negative dr2   Daniel Cesar
  • [Pw_forum] Error in routine mix_rho (1): negative dr2   Yue-Wen Fang
  • [Pw_forum] Error in routine mix_rho (1): negative dr2   Paolo Giannozzi
• [Pw_forum] Spin-Unrestricted Calculation for O2 Adsorption   Vic Bermudez
  • [Pw_forum] Spin-Unrestricted Calculation for O2 Adsorption   Nicola Marzari
  • [Pw_forum] Spin-Unrestricted Calculation for O2 Adsorption   Paolo Giannozzi
• [Pw_forum] Raman cross section for spin-polarized systems?   Ijäs Mari
  • [Pw_forum] Raman cross section for spin-polarized systems?   Paolo Giannozzi
• [Pw_forum] graphen with adatoms input   yelena
  • [Pw_forum] graphen with adatoms input   Stefano de Gironcoli
    • [Pw_forum] graphen with adatoms input   yelena
      • [Pw_forum] graphen with adatoms input   Paolo Giannozzi
      • [Pw_forum] graphen with adatoms input   yelena
• [Pw_forum] Iron surface Molecular Dynamics   Vincenzo Verdolino
  • [Pw_forum] Iron surface Molecular Dynamics   Giuseppe Mattioli
    • [Pw_forum] Iron surface Molecular Dynamics   Nicola Marzari
    • [Pw_forum] Iron surface Molecular Dynamics   Vincenzo Verdolino
• [Pw_forum] PAW   Suza W
  • [Pw_forum] PAW   Arles V. Gil Rebaza
    • [Pw_forum] PAW   Suza W
      • [Pw_forum] PAW   Arles V. Gil Rebaza
• [Pw_forum] error of Gipaw calculation for ethonal   Yong Xue
  • [Pw_forum] error of Gipaw calculation for ethonal   Emine Kucukbenli
  • [Pw_forum] error of Gipaw calculation for ethonal   Davide Ceresoli
• [Pw_forum] magnetic moments in graphene with single vacancy :: discrepancy   Martin Gmitra
  • [Pw_forum] magnetic moments in graphene with single vacancy :: discrepancy   Martin Gmitra
    • [Pw_forum] magnetic moments in graphene with single vacancy :: discrepancy   Paolo Giannozzi
• [Pw_forum] Unsuscribe   Jean Martel
• [Pw_forum] How to relax heterojunction (supercell) structure in a appropriate way?   Yue-Wen Fang
  • [Pw_forum] How to relax heterojunction (supercell) structure in a appropriate way?   Masoud Nahali
• [Pw_forum] Not convergence of the scf in phonon calculation   Yue-Wen Fang
• [Pw_forum] Carbon nanotube   Mahmoud Hammouri
  • [Pw_forum] Carbon nanotube   Mahmoud Hammouri
    • [Pw_forum] Carbon nanotube   Axel Kohlmeyer
• [Pw_forum] dE0s is positive which should never happen   Alexandru Bogdan Georgescu
  • [Pw_forum] dE0s is positive which should never happen   Paolo Giannozzi
• [Pw_forum] Regarding symmetry   mohaddeseh abbasnejad
  • [Pw_forum] Regarding symmetry   Paolo Giannozzi
    • [Pw_forum] Regarding symmetry   mohaddeseh abbasnejad
• [Pw_forum] Fwd: qustion   Lorenzo Donà
  • [Pw_forum] qustion   Filippo Spiga
• [Pw_forum] (no subject)   shiva mokhavat
  • [Pw_forum] (no subject)   Filipe Camargo Dalmatti Alves Lima
  • [Pw_forum] (no subject)   ramzi alaya
  • [Pw_forum] (no subject)   ramzi alaya
  • [Pw_forum] (no subject)   Banafshe Noori
    • [Pw_forum] (no subject)   Paolo Giannozzi
  • [Pw_forum] (no subject)   Banafshe Noori
• [Pw_forum] gap width in dos and band   shiva mokhavat
  • [Pw_forum] gap width in dos and band   xirainbow
    • [Pw_forum] gap width in dos and band   shiva mokhavat
• [Pw_forum] Call for Proposals for DECI-11 (Tier-1)   Filippo Spiga
• [Pw_forum] Van Voorhis spin polarized van der Waals functional   Prasenjit Ghosh
• [Pw_forum] Error in restarting a ph.x job   Hongze Xia
  • [Pw_forum] Fwd: Error in restarting a ph.x job   Hongze Xia
    • [Pw_forum] Fwd: Error in restarting a ph.x job   Paolo Giannozzi
• [Pw_forum] dyn file is empty for IR calculation   Yong Xue
  • [Pw_forum] dyn file is empty for IR calculation   Paolo Giannozzi
• [Pw_forum] QE-forge   Paolo Giannozzi
  • [Pw_forum] Fermi Energy of Cu   Jennifer Wohlwend
    • [Pw_forum] Fermi Energy of Cu   Duy Le
      • [Pw_forum] Fermi Energy of Cu   Jennifer Wohlwend
      • [Pw_forum] Fermi Energy of Cu   Lorenzo Paulatto
• [Pw_forum] scf calculation stops at starting wfc ...   Yong Xue
  • [Pw_forum] scf calculation stops at starting wfc ...   Jia Chen
    • [Pw_forum] scf calculation stops at starting wfc ...   mohnish pandey
      • [Pw_forum] scf calculation stops at starting wfc ...   Paolo Giannozzi
• [Pw_forum] fft 3D   Fang Liu
  • [Pw_forum] fft 3D   Paolo Giannozzi
    • [Pw_forum] fft 3D   Fang Liu
      • [Pw_forum] fft 3D   Andrei Malashevich
      • [Pw_forum] fft 3D   Fang Liu
      • [Pw_forum] fft 3D   Lorenzo Paulatto
      • [Pw_forum] fft 3D   Andrei Malashevich
      • [Pw_forum] fft 3D   Lorenzo Paulatto
      • [Pw_forum] fft 3D   Paolo Giannozzi
      • [Pw_forum] fft 3D   Andrei Malashevich
    • [Pw_forum] fft 3D   Gabriele Sclauzero
      • [Pw_forum] fft 3D   Paolo Giannozzi
      • [Pw_forum] fft 3D   Fang Liu
      • [Pw_forum] fft 3D   Paolo Giannozzi
      • [Pw_forum] fft 3D   cufe.fliu at gmail.com
• [Pw_forum] phonon bandstructure   Mansoureh Pashangpour
  • [Pw_forum] phonon bandstructure   Ali Tavana
    • [Pw_forum] phonon bandstructure   Mansoureh Pashangpour
      • [Pw_forum] phonon bandstructure   Oleg Sergeev
      • [Pw_forum] phonon bandstructure   Mansoureh Pashangpour
      • [Pw_forum] phonon bandstructure   Paolo Giannozzi
• [Pw_forum] GIPAW calculation: from davcio : error # 10, error while reading from file   Yong Xue
• [Pw_forum] error with GIPAW calculation, stops reading at Computing the magnetic susceptibility , k-point # 1 of 1 pool # 1   Yong Xue
• [Pw_forum] ”wrong representation“ from ”set_irr_sym“   xirainbow
• [Pw_forum] Re   Banafshe Noori
• [Pw_forum] alat and cell parameter   Dongsheng Zhang
  • [Pw_forum] alat and cell parameter   Paolo Giannozzi
  • [Pw_forum] alat and cell parameter   Dongsheng Zhang
    • [Pw_forum] alat and cell parameter   Gabriele Sclauzero
• [Pw_forum] Random phase approximation   Prasenjit Ghosh
• [Pw_forum] the problem about phonon band calculation   李晓川
  • [Pw_forum] the problem about phonon band calculation   李晓川
    • [Pw_forum] the problem about phonon band calculation   Paolo Giannozzi
      • [Pw_forum] the problem about phonon band calculation   李晓川
      • [Pw_forum] the problem about phonon band calculation   Ben Palmer
      • [Pw_forum] the problem about phonon band calculation   李晓川
• [Pw_forum] effect of the vacum thickness on the dielectric constants   Luo Xin (IHPC)
  • [Pw_forum] effect of the vacum thickness on the dielectric constants   Paolo Giannozzi
    • [Pw_forum] effect of the vacum thickness on the dielectric constants   Luo Xin (IHPC)
• [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization   Dongsheng Zhang
  • [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization   Nicola Marzari
  • [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization   Paolo Giannozzi
  • [Pw_forum] different result from vc-relax and manually scanning alat constant for crystal structure optimization   zafar rasheed
• [Pw_forum] How to add an electric field   moonfine at mail.sdu.edu.cn
  • [Pw_forum] How to add an electric field   Paolo Giannozzi
• [Pw_forum] Dispersion_correction parameter for Platinum   Pallavi Bothra
  • [Pw_forum] Dispersion_correction parameter for Platinum   Giuseppe Mattioli
  • [Pw_forum] Dispersion_correction parameter for Platinum   Martin Andersson
    • [Pw_forum] Dispersion_correction parameter for Platinum   Giuseppe Mattioli
• [Pw_forum] Installation problem   Yantao Wu
  • [Pw_forum] Installation problem   Surender
    • [Pw_forum] Installation problem   Yantao Wu
      • [Pw_forum] Installation problem   Lorenzo Paulatto
      • [Pw_forum] Installation problem   Paolo Giannozzi
      • [Pw_forum] Installation problem   Yantao Wu
      • [Pw_forum] Installation problem   Surender
      • [Pw_forum] Installation problem   Yantao Wu
      • [Pw_forum] Installation problem   Yantao Wu
      • [Pw_forum] Installation problem   Axel Kohlmeyer
      • [Pw_forum] Installation problem   Yantao Wu
      • [Pw_forum] Installation problem   Axel Kohlmeyer
      • [Pw_forum] Installation problem   Ben Palmer
      • [Pw_forum] Installation problem   Ben Palmer
      • [Pw_forum] Installation problem   Axel Kohlmeyer
      • [Pw_forum] Installation problem   Ben Palmer
      • [Pw_forum] Installation problem   Yantao Wu
      • [Pw_forum] Installation problem   Surender
      • [Pw_forum] Installation problem   Surender
• [Pw_forum] Zn 20 electrons pseudopotential   Bruno Camino
  • [Pw_forum] Zn 20 electrons pseudopotential   Paolo Giannozzi
    • [Pw_forum] Zn 20 electrons pseudopotential   Vinay Hegde
  • [Pw_forum] Zn 20 electrons pseudopotential   Giuseppe Mattioli
  • [Pw_forum] Zn 20 electrons pseudopotential   Bruno Camino
• [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge   Alexey Akimov
  • [Pw_forum] reusing wfc/charge density for nscf calculation with different total charge   Paolo Giannozzi
• [Pw_forum] symmetry in wannier   ding
• [Pw_forum] lambda.x crash   yelena
  • [Pw_forum] lambda.x crash   feng.zimin at ireq.ca
    • [Pw_forum] lambda.x crash   feng.zimin at ireq.ca
  • [Pw_forum] lambda.x crash   Miao Gao
    • [Pw_forum] lambda.x crash   yelena
  • [Pw_forum] lambda.x crash   Paolo Giannozzi
    • [Pw_forum] lambda.x crash   yelena
      • [Pw_forum] lambda.x crash   Paolo Giannozzi
      • [Pw_forum] lambda.x crash   李晓川
• [Pw_forum] Fwd: Atoms are missing in the pdos output   Abhishek Mishra
  • [Pw_forum] Fwd: Atoms are missing in the pdos output   Paolo Giannozzi
• [Pw_forum] Modelling a 4-system high entropy alloy   Zhao Y Leong
• [Pw_forum] no band gap appear in the bands eigenvalues in relaxtion though a 3 ev band gaps should be found   Yong Xue
  • [Pw_forum] no band gap appear in the bands eigenvalues in relaxtion though a 3 ev band gaps should be found   Giuseppe Mattioli
• [Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is not zero.   Yong Xue
  • [Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is not zero.   xirainbow
• [Pw_forum] Three three-year postdoctoral positions on modelling functional energy materials   Filippo Spiga
• [Pw_forum] Reg: How to find melting point   Peram sreenivasa reddy
  • [Pw_forum] Reg: How to find melting point   李晓川
    • [Pw_forum] Reg: How to find melting point   Peram sreenivasa reddy
      • [Pw_forum] Reg: How to find melting point   Paolo Giannozzi
• [Pw_forum] electron phonon coupling   Satyananda Chab
• [Pw_forum] errors in *.err files   Goranka Bilalbegovic
  • [Pw_forum] errors in *.err files   Paolo Giannozzi
• [Pw_forum] parallelization   vijaya subramanian
  • [Pw_forum] parallelization   Paolo Giannozzi
• [Pw_forum] cell dm (1) for (8,0) nanotube   Banafshe Noori
  • [Pw_forum] cell dm (1) for (8,0) nanotube   Lorenzo Paulatto
• [Pw_forum] VdW for open shell systems   Giuseppe Mattioli
• [Pw_forum] K-point convergence help   Ben Palmer
  • [Pw_forum] K-point convergence help   Abolore Musari
    • [Pw_forum] K-point convergence help   Ben Palmer
  • [Pw_forum] K-point convergence help   Nicola Marzari
• [Pw_forum] restart_mode   Sakhrawi Taoufek
  • [Pw_forum] restart_mode   Giuseppe Mattioli
  • [Pw_forum] restart_mode   Paolo Giannozzi
• [Pw_forum] Relax output   Yantao Wu
  • [Pw_forum] Relax output   Andrei Malashevich
    • [Pw_forum] Relax output   Yantao Wu
• [Pw_forum] Questions on ibrav in pw.x   Yantao Wu
  • [Pw_forum] Questions on ibrav in pw.x   mohnish pandey
  • [Pw_forum] Questions on ibrav in pw.x   Axel Kohlmeyer
    • [Pw_forum] Questions on ibrav in pw.x   Yantao Wu
• [Pw_forum] error while running pw4gww.x   Anjali Singh
  • [Pw_forum] error while running pw4gww.x   Paolo Giannozzi
  • [Pw_forum] Fwd: error while running pw4gww.x   Anjali Singh
    • [Pw_forum] Fwd: error while running pw4gww.x   Vinay Hegde
• [Pw_forum] primitive cell for slab calc   vijaya subramanian
  • [Pw_forum] primitive cell for slab calc   Sanjeev Gupta
• [Pw_forum] The new GPU-version QE   Chengyang Li
  • [Pw_forum] The new GPU-version QE   yelena
    • [Pw_forum] The new GPU-version QE   Chengyang Li
  • [Pw_forum] The new GPU-version QE   Filippo Spiga
    • [Pw_forum] The new GPU-version QE   Chengyang Li
• [Pw_forum] Convergence issues   Yantao Wu
  • [Pw_forum] Convergence issues   Paolo Giannozzi
    • [Pw_forum] Convergence issues   Yantao Wu
      • [Pw_forum] Convergence issues   Paolo Giannozzi
      • [Pw_forum] Convergence issues   Yantao Wu
• [Pw_forum] Local pseudopotential   Yuning Wu
• [Pw_forum] Getting NaN values in QHA calculations   Peram sreenivasa reddy
  • [Pw_forum] Getting NaN values in QHA calculations   Sanjeev Gupta
• [Pw_forum] *.save non existent or non writable   Sakhrawi Taoufek
  • [Pw_forum] *.save non existent or non writable   Sakhrawi Taoufek
    • [Pw_forum] *.save non existent or non writable   Axel Kohlmeyer
• [Pw_forum] "Raman activities" do not converge   xirainbow
  • [Pw_forum] "Raman activities" do not converge   Sanjeev Gupta
    • [Pw_forum] "Raman activities" do not converge   Paolo Giannozzi
      • [Pw_forum] "Raman activities" do not converge   xirainbow
      • [Pw_forum] "Raman activities" do not converge   Lorenzo Paulatto
      • [Pw_forum] "Raman activities" do not converge   xirainbow
    • [Pw_forum] "Raman activities" do not converge   xirainbow
    • [Pw_forum] "Raman activities" do not converge   xirainbow
• [Pw_forum] phonon calculation with no convergence   moonfine at mail.sdu.edu.cn
  • [Pw_forum] phonon calculation with no convergence   Sanjeev Gupta
    • [Pw_forum] phonon calculation with no convergence   Peram sreenivasa reddy
• [Pw_forum] bader analysis   Sakhrawi Taoufek
  • [Pw_forum] bader analysis   Ari P Seitsonen
    • [Pw_forum] bader analysis   Axel Kohlmeyer
  • [Pw_forum] bader analysis   Giovanni La Penna
    • [Pw_forum] bader analysis   Giuseppe Mattioli
      • [Pw_forum] bader analysis   Sakhrawi Taoufek
      • [Pw_forum] bader analysis   Giuseppe Mattioli
      • [Pw_forum] bader analysis   Prasenjit Ghosh
• [Pw_forum] What is the function of "drho_e" file?   xirainbow
• [Pw_forum] A few questions about MD simulations   Robert Hembree
• [Pw_forum] QE-GPU releases, detailed package list   Filippo Spiga

Last message date: Fri May 31 23:41:40 CEST 2013
Archived on: Wed Feb 28 11:11:00 CET 2018

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