January 2014 Archives by thread

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Starting: Thu Jan 2 04:33:47 CET 2014
Ending: Fri Jan 31 19:53:54 CET 2014
Messages: 203

• [Pw_forum] phcg restart problem   weeliat
  • [Pw_forum] phcg restart problem   Paolo Giannozzi
    • [Pw_forum] phcg restart problem   weeliat
      • [Pw_forum] phcg restart problem   weeliat
      • [Pw_forum] phcg restart problem   Paolo Giannozzi
      • [Pw_forum] phcg restart problem   周波
      • [Pw_forum] phcg restart problem   Paolo Giannozzi
      • [Pw_forum] phcg restart problem   weeliat
• [Pw_forum] Reg: Tc value for particular degauss values   Peram sreenivasa reddy
  • [Pw_forum] Reg: Tc value for particular degauss values   Peram sreenivasa reddy
    • [Pw_forum] Reg: Tc value for particular degauss values   Lorenzo Paulatto
      • [Pw_forum] Reg: Tc value for particular degauss values   Peram sreenivasa reddy
      • [Pw_forum] Reg: Tc value for particular degauss values   Peram sreenivasa reddy
      • [Pw_forum] Reg: Tc value for particular degauss values   Lorenzo Paulatto
• [Pw_forum] spin polarization of a organo-metallic compound   Alex Granov
  • [Pw_forum] spin polarization of a organo-metallic compound   Paolo Giannozzi
  • [Pw_forum] spin polarization of a organo-metallic compound   Giuseppe Mattioli
    • [Pw_forum] spin polarization of a organo-metallic compound   Jia Chen
      • [Pw_forum] spin polarization of a organo-metallic compound   Giuseppe Mattioli
      • [Pw_forum] spin polarization of a organo-metallic compound   Jia Chen
      • [Pw_forum] spin polarization of a organo-metallic compound   Giuseppe Mattioli
      • [Pw_forum] spin polarization of a organo-metallic compound   Jia Chen
  • [Pw_forum] spin polarization of a organo-metallic compound   Alex Granov
    • [Pw_forum] spin polarization of a organo-metallic compound   Jia Chen
    • [Pw_forum] spin polarization of a organo-metallic compound   Giuseppe Mattioli
• [Pw_forum] consulting two questions   Dengfeng Li
• [Pw_forum] phonon calculations in titanium   Uri Argaman
• [Pw_forum] Rashba spin-orbit interaction for a 2D system   Mohsen Modaresi
• [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   David Foster
  • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   Lorenzo Paulatto
    • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   David Foster
      • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   Paolo Giannozzi
      • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   David Foster
      • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   Carlo Nervi
      • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   Lorenzo Paulatto
      • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   David Foster
      • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   David Foster
  • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   Lorenzo Paulatto
    • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   David Foster
  • [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"   Carlo Nervi
• [Pw_forum] Query on Double numerical atomic orbitals   Ajit Vallabhaneni
  • [Pw_forum] Query on Double numerical atomic orbitals   Nicola Marzari
• [Pw_forum] magnetic Moment calculation   Muthu V
  • [Pw_forum] magnetic Moment calculation   Giuseppe Mattioli
    • [Pw_forum] dynamical matrix units   Federico Gallino
      • [Pw_forum] dynamical matrix units   Lorenzo Paulatto
      • [Pw_forum] dynamical matrix units   Federico Gallino
      • [Pw_forum] dynamical matrix units   Paolo Giannozzi
• [Pw_forum] calculation 'band' not allowed   sufyan
  • [Pw_forum] calculation 'band' not allowed   Pietro Bonfa'
    • [Pw_forum] calculation 'band' not allowed   sufyan
• [Pw_forum] How to calculate the polarization of BiFeO3 ?   Q.J.Wang
• [Pw_forum] Regarding Fermi Energy   Manu Hegde
  • [Pw_forum] Regarding Fermi Energy   Ari P Seitsonen
    • [Pw_forum] Regarding Fermi Energy   Manu Hegde
• [Pw_forum] need help in yambo installation   Halima Zaari
  • [Pw_forum] need help in yambo installation   Ari P Seitsonen
• [Pw_forum] automatic k-point generation   Vikan Manmathan
• [Pw_forum] ibrav for orthorhombic space group   David Foster
  • [Pw_forum] ibrav for orthorhombic space group   xirainbow
    • [Pw_forum] ibrav for orthorhombic space group   David Foster
• [Pw_forum] the difference between the low- and high-frequency dielectric constants   Suza W
  • [Pw_forum] the difference between the low- and high-frequency dielectric constants   Suza W
• [Pw_forum] Fwd: Getting Error in routine rdiaghg (335): S matrix not positive definite   Manu Hegde
  • [Pw_forum] Fwd: Getting Error in routine rdiaghg (335): S matrix not positive definite   Ari P Seitsonen
• [Pw_forum] Problem with XSpectra installation   Balaji V
  • [Pw_forum] Problem with XSpectra installation   Ari P Seitsonen
  • [Pw_forum] Problem with XSpectra installation   Balaji V
• [Pw_forum] phonon calculations of transition metals in hexagonal phases   Uri Argaman
  • [Pw_forum] phonon calculations of transition metals in hexagonal phases   Ari P Seitsonen
  • [Pw_forum] phonon calculations of transition metals in hexagonal phases   Mehmet Topsakal
• [Pw_forum] Having problem with Total energy in Band structure calculation   Alhassan Shuaibu
  • [Pw_forum] Having problem with Total energy in Band structure calculation   mohnish pandey
  • [Pw_forum] Having problem with Total energy in Band structure calculation   Ari P Seitsonen
  • [Pw_forum] Having problem with Total energy in Band structure calculation   Paolo Giannozzi
• [Pw_forum] ph.x   shiva mokhavat
  • [Pw_forum] ph.x   Paolo Giannozzi
    • [Pw_forum] ph.x   shiva mokhavat
• [Pw_forum] Partial Charge on atoms   N S
  • [Pw_forum] Partial Charge on atoms   Giuseppe Mattioli
• [Pw_forum] Strange benchmark results   Fabricio Cannini
• [Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300   Fabricio Cannini
• [Pw_forum] Relaxation error with force=NAN in PWSCF v.5.0.2 (svn rev. 9656)   Ning Shen
  • [Pw_forum] Relaxation error with force=NAN in PWSCF v.5.0.2 (svn rev. 9656)   Paolo Giannozzi
• [Pw_forum] problem in determine cell_factor   ehsan targholi
  • [Pw_forum] problem in determine cell_factor   Lorenzo Paulatto
    • [Pw_forum] problem in determine cell_factor   ehsan targholi
      • [Pw_forum] problem in determine cell_factor   Lorenzo Paulatto
      • [Pw_forum] problem in determine cell_factor   ehsan targholi
• [Pw_forum] Interaction energies between molecules   Manuel Fernandes
  • [Pw_forum] Interaction energies between molecules   stefano de gironcoli
  • [Pw_forum] Interaction energies between molecules   Manuel Fernandes
    • [Pw_forum] Interaction energies between molecules   Stefano de Gironcoli
    • [Pw_forum] Interaction energies between molecules   Paolo Giannozzi
  • [Pw_forum] Interaction energies between molecules   Manuel Fernandes
• [Pw_forum] PARA_PREFIX AND PARA_IMAGE_POSTFIX   Elliot Menkah
  • [Pw_forum] PARA_PREFIX AND PARA_IMAGE_POSTFIX   Paolo Giannozzi
  • [Pw_forum] PARA_PREFIX AND PARA_IMAGE_POSTFIX   elliotsmenkah
• [Pw_forum] The Unit of LDOS at Fermi Level   Higuchi Toshiharu
  • [Pw_forum] The Unit of LDOS at Fermi Level   stefano de gironcoli
    • [Pw_forum] The Unit of LDOS at Fermi Level   Higuchi Toshiharu
• [Pw_forum] QHA   Uri Argaman
• [Pw_forum] regarding interfacing Quantum Espresso with Boltztrap code   kulwinder kaur
  • [Pw_forum] regarding interfacing Quantum Espresso with Boltztrap code   stefano de gironcoli
  • [Pw_forum] regarding interfacing Quantum Espresso with Boltztrap code   Nicola Marzari
• [Pw_forum] tranmission calculation   raha khalili
  • [Pw_forum] tranmission calculation   Gabriele Sclauzero
    • [Pw_forum] tranmission calculation   raha khalili
      • [Pw_forum] tranmission calculation   Paolo Giannozzi
      • [Pw_forum] tranmission calculation   raha khalili
      • [Pw_forum] tranmission calculation   raha khalili
      • [Pw_forum] tranmission calculation   Gabriele Sclauzero
      • [Pw_forum] tranmission calculation   raha khalili
      • [Pw_forum] tranmission calculation   Sclauzero Gabriele
      • [Pw_forum] tranmission calculation   raha khalili
• [Pw_forum] forming super cell - reg.,   Muthu V
  • [Pw_forum] forming super cell - reg.,   Sanjeev Gupta
• [Pw_forum] need peudopotential file   Ganjar Kurniawan
  • [Pw_forum] need peudopotential file   Jiayi Yan
• [Pw_forum] The -D__USE_3D_FFT option in PW   Paul.Caheny at uk.fujitsu.com
  • [Pw_forum] The -D__USE_3D_FFT option in PW   Paolo Giannozzi
  • [Pw_forum] The -D__USE_3D_FFT option in PW   Filippo Spiga
• [Pw_forum] kpoints and elph   yelena
• [Pw_forum] (no subject)   MISSAOUI Jamil
  • [Pw_forum] (no subject)   xirainbow
• [Pw_forum] band structure of Si unit cell and supercer   Muthu V
  • [Pw_forum] band structure of Si unit cell and supercer   Pietro Bonfa'
• [Pw_forum] Defining exchange correlation functional   Kayahan Saritas
  • [Pw_forum] Defining exchange correlation functional   Paolo Giannozzi
• [Pw_forum] How to reuse cell geometry for successive straining of a lattice   Zimmerman, Jonathan A
  • [Pw_forum] How to reuse cell geometry for successive straining of a lattice   Axel Kohlmeyer
    • [Pw_forum] [EXTERNAL] Re: How to reuse cell geometry for successive straining of a lattice   Zimmerman, Jonathan A
      • [Pw_forum] [EXTERNAL] Re: How to reuse cell geometry for successive straining of a lattice   xirainbow
• [Pw_forum] difference between epw in version 4 and e-p coupling in version 5   "Alexandra Carvalho (雅丽）"
  • [Pw_forum] difference between epw in version 4 and e-p coupling in version 5   Paolo Giannozzi
    • [Pw_forum] difference between epw in version 4 and e-p coupling in version 5   "Alexandra Carvalho (雅丽）"
  • [Pw_forum] 答复: difference between epw in version 4 and e-p coupling inversion 5   Feng, Zimin
• [Pw_forum] Band energy plots   Mitul Mundra
  • [Pw_forum] Band energy plots   Giovanni Cantele
    • [Pw_forum] Band energy plots   Mitul Mundra
• [Pw_forum] How to set Occupation to Calculate Grapgene DOS?   Li, Run
  • [Pw_forum] How to set Occupation to Calculate Grapgene DOS?   Lorenzo Paulatto
  • [Pw_forum] How to set Occupation to Calculate Grapgene DOS?   Paolo Giannozzi
    • [Pw_forum] How to set Occupation to Calculate Grapgene DOS?   Li, Run
      • [Pw_forum] How to set Occupation to Calculate Grapgene DOS?   Lorenzo Paulatto
• [Pw_forum] Question on SCF   Heng Luo
  • [Pw_forum] Question on SCF   Feng, Zimin
    • [Pw_forum] Question on SCF   Heng Luo
      • [Pw_forum] Question on SCF   Paolo Giannozzi
  • [Pw_forum] Question on SCF   Lorenzo Paulatto
  • [Pw_forum] Question on SCF   Hadi Arefi
    • [Pw_forum] Question on SCF   Gabriel Greene
    • [Pw_forum] Question on SCF   Paolo Giannozzi
• [Pw_forum] SPIN POLARIZATION CALCULATIONS   MISSAOUI Jamil
  • [Pw_forum] SPIN POLARIZATION CALCULATIONS   xirainbow
• [Pw_forum] Hands-on Tutorial on Excited State Spectroscopy: GW and BSE using the Yambo code   Andrea Ferretti
• [Pw_forum] Undefined reference to gfortran   BENYAHIA NEZHA
  • [Pw_forum] Undefined reference to gfortran   Axel Kohlmeyer
    • [Pw_forum] Undefined reference to gfortran   Fabricio Cannini
  • [Pw_forum] Undefined reference to gfortran   Lorenzo Paulatto
  • [Pw_forum] Undefined reference to gfortran   BENYAHIA NEZHA
• [Pw_forum] QE-GPU v14.01.0 released!   Filippo Spiga
• [Pw_forum] Fw: Pw_forum Digest, Vol 78, Issue 25   Omamuyovwi Akemu
  • [Pw_forum] celldm(1)=0   Paolo Giannozzi
• [Pw_forum] DOS of graphene   ehsan targholi
• [Pw_forum] uniform grid   Halima Zaari
  • [Pw_forum] uniform grid   Lorenzo Paulatto
    • [Pw_forum] uniform grid   Halima Zaari
• [Pw_forum] fluctuating force in relaxation   Mudra Dave
• [Pw_forum] electron-phonon coupling, nesting, double-delta   nicvok
  • [Pw_forum] electron-phonon coupling, nesting, double-delta   Feng, Zimin
  • [Pw_forum] electron-phonon coupling, nesting, double-delta   nicvok
    • [Pw_forum] electron-phonon coupling, nesting, double-delta   Feng, Zimin
• [Pw_forum] QE for fusion applications?   Nicola Marzari
  • [Pw_forum] QE for fusion applications?   Nichols A. Romero
• [Pw_forum] optimization and pseudo potentials   James Mao
  • [Pw_forum] optimization and pseudo potentials   Giuseppe Mattioli
    • [Pw_forum] optimization and pseudo potentials   James Mao
      • [Pw_forum] optimization and pseudo potentials   Giuseppe Mattioli
• [Pw_forum] Eigenvectors with phcg.x   weeliat
  • [Pw_forum] Eigenvectors with phcg.x   weeliat
• [Pw_forum] hybrid calculation with dexx negative   DELLACA' Valentina (CRF)
  • [Pw_forum] hybrid calculation with dexx negative   mohnish pandey
    • [Pw_forum] R: hybrid calculation with dexx negative   DELLACA' Valentina (CRF)
• [Pw_forum] Geometry optimization generates same coordinates   jbobak
  • [Pw_forum] Geometry optimization generates same coordinates   Elliot Menkah
  • [Pw_forum] Geometry optimization generates same coordinates   Paolo Giannozzi
    • [Pw_forum] Geometry optimization generates same coordinates   jbobak
      • [Pw_forum] Geometry optimization generates same coordinates   Thomas Brumme
      • [Pw_forum] Geometry optimization generates same coordinates   jbobak
      • [Pw_forum] Geometry optimization generates same coordinates   Paolo Giannozzi
      • [Pw_forum] Geometry optimization generates same coordinates   Pascal BOULET
• [Pw_forum] how to get the suitable value of mixing_beta   Ganjar Kurniawan
• [Pw_forum] Xcrysden charge plot - reg.,   Muthu V
  • [Pw_forum] Xcrysden charge plot - reg.,   Tone Kokalj
• [Pw_forum] number of kpoints for lambda.x   yelena
  • [Pw_forum] number of kpoints for lambda.x   Lorenzo Paulatto
• [Pw_forum] Getting value of mixing_beta   Ganjar Kurniawan
  • [Pw_forum] Getting value of mixing_beta   Manu Hegde
    • [Pw_forum] Getting value of mixing_beta   Nicola Marzari
• [Pw_forum] problem in nscf cal   ehsan targholi
  • [Pw_forum] problem in nscf cal   Manu Hegde
  • [Pw_forum] problem in nscf cal   Manu Hegde

Last message date: Fri Jan 31 19:53:54 CET 2014
Archived on: Wed Feb 28 11:11:03 CET 2018

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