January 2010 Archives by thread

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Starting: Sat Jan 2 00:35:34 CET 2010
Ending: Sun Jan 31 09:23:45 CET 2010
Messages: 222

• [Pw_forum] question about matdyn.x   Eyvaz Isaev
• [Pw_forum] A question about force constants calculation output   Eyvaz Isaev
• [Pw_forum] configure error   udayagiri sai babu
  • [Pw_forum] configure error   Paolo Giannozzi
    • [Pw_forum] configure error   udayagiri sai babu
• [Pw_forum] Band structure calculation from geometry optimization output files.   mohnish pandey
• [Pw_forum] about fermi level   Paolo Giannozzi
• [Pw_forum] Compilation in BlueGene/L   Madan Mithra. L. M
  • [Pw_forum] Compilation in BlueGene/L   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 31, Issue 2   Zhen Huang
  • [Pw_forum] Pw_forum Digest, Vol 31, Issue 2   Stefano Baroni
• [Pw_forum] ecut dependence of symmetry operations(?)   Madhura Marathe
  • [Pw_forum] ecut dependence of symmetry operations(?)   Lorenzo Paulatto
    • [Pw_forum] ecut dependence of symmetry operations(?)   Madhura Marathe
      • [Pw_forum] ecut dependence of symmetry operations(?)   Stefano Baroni
      • [Pw_forum] ecut dependence of symmetry operations(?)   Madhura Marathe
• [Pw_forum] ecut dependence of symmetry operations(?)   kyin.cn
• [Pw_forum] internal parameter 'u'   kajal jindal
  • [Pw_forum] internal parameter 'u'   Eyvaz Isaev
• [Pw_forum] Error: bfgs history already reset at previous step   vega lew
  • [Pw_forum] Error: bfgs history already reset at previous step   Paolo Giannozzi
  • [Pw_forum] Error: bfgs history already reset at previous step   mohnish pandey
    • [Pw_forum] Error: bfgs history already reset at previous step   vega lew
• [Pw_forum] Band structure calculation from geometry optimization output files.   mohnish pandey
  • [Pw_forum] Band structure calculation from geometry optimization output files.   Madhura Marathe
    • [Pw_forum] A question about force constants calculation output   Paolo Giannozzi
    • [Pw_forum] Calculation is crashing without any error message   Paolo Giannozzi
    • [Pw_forum] Number of bands in bands_FS   Nicki Frank Hinsche
    • [Pw_forum] Number of bands in bands_FS   Eyvaz Isaev
• [Pw_forum] nondegenerate electrons in DFT.   Jiayu Dai
  • [Pw_forum] nondegenerate electrons in DFT.   Paolo Giannozzi
• [Pw_forum] openmpi problem   Verónica Muriel Sánchez
• [Pw_forum] [Fwd: openmpi problem]   Verónica Muriel Sánchez
  • [Pw_forum] Let's connect on LinkedIn   Devis Di Tommaso
• [Pw_forum] How to use plotrho.x to plot 2D graph?   mohamed sabri majdoub
  • [Pw_forum] How to use plotrho.x to plot 2D graph?   Paolo Giannozzi
    • [Pw_forum] How to use plotrho.x to plot 2D graph?   mohamed sabri majdoub
• [Pw_forum] log(ω) and nscf ?   Hanyu
  • [Pw_forum] log(ω) and nscf ?   Paolo Giannozzi
    • [Pw_forum] log(ω) and nscf ?   Hanyu
• [Pw_forum] Finite temperature exchange-correlation   Jiayu Dai
  • [Pw_forum] Finite temperature exchange-correlation   Gabriele Sclauzero
• [Pw_forum] fix the position of a particular atom   Nay Lin
  • [Pw_forum] fix the position of a particular atom   xirainbow
• [Pw_forum] NEB convergence problem, how to clean up extrapolation files?   Ngoc Linh Nguyen
• [Pw_forum] Total potential in post processing clarifications   mohamed sabri majdoub
  • [Pw_forum] Total potential in post processing clarifications   Paolo Giannozzi
    • [Pw_forum] Total potential in post processing clarifications   mohamed sabri majdoub
      • [Pw_forum] Total potential in post processing clarifications   Paolo Giannozzi
      • [Pw_forum] Total potential in post processing clarifications   mohamed sabri majdoub
  • [Pw_forum] negative PDOS is reasonable?   wujianchun
• [Pw_forum] negative PDOS is reasonable?   Jiayu Dai
• [Pw_forum] pbe0-lattice parameter   ali kazempour
  • [Pw_forum] pbe0-lattice parameter   Paolo Giannozzi
• [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Jones Tsz-Kai Wan
  • [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Lorenzo Paulatto
    • [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Jones Tsz-Kai Wan
  • [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Paolo Giannozzi
    • [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Jones Tsz-Kai Wan
      • [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Lorenzo Paulatto
      • [Pw_forum] Charge and spin densities on radial grid given by PAW calculations   Paolo Giannozzi
• [Pw_forum] Fermi level determination   Vit
  • [Pw_forum] Fermi level determination   Gabriele Sclauzero
    • [Pw_forum] Fermi level determination   Vit
      • [Pw_forum] Fermi level determination   Paolo Giannozzi
      • [Pw_forum] Fermi level determination   Gabriele Sclauzero
• [Pw_forum] about temperature effect   Shyam Khambholja
  • [Pw_forum] about temperature effect   Paolo Giannozzi
• [Pw_forum] Ce pseudo generation   Nany
  • [Pw_forum] Ce pseudo generation   Gabriele Sclauzero
  • [Pw_forum] Ce pseudo generation   Nany
    • [Pw_forum] Ce pseudo generation   Gabriele Sclauzero
• [Pw_forum] magnetization   vicky singh
  • [Pw_forum] magnetization   Gabriele Sclauzero
• [Pw_forum] Something strange in the calculation with the spin=2 and multiplicity=1   vega lew
  • [Pw_forum] Something strange in the calculation with the spin=2 and multiplicity=1   Paolo Giannozzi
  • [Pw_forum] Something strange in the calculation with the spin=2 and multiplicity=1   vega lew
  • [Pw_forum] Something strange in the calculation with the spin=2 and multiplicity=1   Giuseppe Mattioli
  • [Pw_forum] Parallel Installation Error (error: Fortran 77 compiler cannot create executables)   Masoud Nahali
    • [Pw_forum] Parallel Installation Error (error: Fortran 77 compiler cannot create executables)   Paolo Giannozzi
• [Pw_forum] [PW_Forum]Ef calculation and comparison with tight-binding   Vit
  • [Pw_forum] [PW_Forum]Ef calculation and comparison with tight-binding   Paolo Giannozzi
• [Pw_forum] B3LYP   Nany
  • [Pw_forum] B3LYP   Paolo Giannozzi
• [Pw_forum] Errors in parallel 3D FFT   Iain Bethune
  • [Pw_forum] Errors in parallel 3D FFT   Lorenzo Paulatto
    • [Pw_forum] Errors in parallel 3D FFT   Iain Bethune
      • [Pw_forum] Errors in parallel 3D FFT   Paolo Giannozzi
      • [Pw_forum] Errors in parallel 3D FFT   Iain Bethune
      • [Pw_forum] Errors in parallel 3D FFT   O. Baris Malcioglu
• [Pw_forum] Ultrasoft Pseudo potential for Mn   vtmtrinh at caltech.edu
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   Paolo Giannozzi
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   vtmtrinh at caltech.edu
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   Paolo Giannozzi
  • [Pw_forum] About LDOs calcualtions at fermi level   saqib javaid
  • [Pw_forum] About LDOs calcualtions at fermi level   Lorenzo Paulatto
  • [Pw_forum] About LDOs calcualtions at fermi level   saqib javaid
  • [Pw_forum] About LDOs calcualtions at fermi level   Lorenzo Paulatto
  • [Pw_forum] About LDOs calcualtions at fermi level   saqib javaid
  • [Pw_forum] About LDOs calcualtions at fermi level   Lorenzo Paulatto
  • [Pw_forum] About LDOs calcualtions at fermi level   saqib javaid
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   vtmtrinh at caltech.edu
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   Paolo Giannozzi
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   vtmtrinh at caltech.edu
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   vicky singh
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   vtmtrinh at caltech.edu
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   vicky singh
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   Gabriele Sclauzero
  • [Pw_forum] Ultrasoft Pseudo potential for Mn   Paolo Giannozzi
• [Pw_forum] ecutwfc   sufyan
  • [Pw_forum] ecutwfc   xirainbow
    • [Pw_forum] parallel diag. "failure" with too large number of k-points?????   Giovanni Cantele
    • [Pw_forum] parallel diag. "failure" with too large number of k-points?????   Paolo Giannozzi
• [Pw_forum] Graphene Nanoribbon Phonon Dispersion Calculation Problem   Zhen Huang
  • [Pw_forum] Graphene Nanoribbon Phonon Dispersion Calculation Problem   xirainbow
• [Pw_forum] frc_blk :error # 1   Hanyu
  • [Pw_forum] frc_blk :error # 1   Stefano de Gironcoli
• [Pw_forum] Pseudopotential for Yb   vtmtrinh at caltech.edu
  • [Pw_forum] Pseudopotential for Yb   Paolo Giannozzi
  • [Pw_forum] Pseudopotential for Yb   Vo, Trinh (388C)
• [Pw_forum] internal parameter 'u'   kajal jindal
  • [Pw_forum] internal parameter 'u'   Stefano de Gironcoli
    • [Pw_forum] internal parameter 'u'   kajal jindal
      • [Pw_forum] internal parameter 'u'   Stefano de Gironcoli
• [Pw_forum] q2r.x for a perticular q-point   Bipul Rakshit
  • [Pw_forum] q2r.x for a perticular q-point   Stefano de Gironcoli
    • [Pw_forum] q2r.x for a perticular q-point   Bipul Rakshit
• [Pw_forum] MPI runtime error   Nay Lin
  • [Pw_forum] MPI runtime error   Paolo Giannozzi
• [Pw_forum] doubt in ph.x and matdyn.x   Bipul Rakshit
  • [Pw_forum] doubt in ph.x and matdyn.x   Paolo Giannozzi
• [Pw_forum] degauss in DOS calculation.   Jiayu Dai
  • [Pw_forum] degauss in DOS calculation.   Paolo Giannozzi
• [Pw_forum] problem with hybrid functionals and ionic steps   Nany
  • [Pw_forum] problem with hybrid functionals and ionic steps   Nany
    • [Pw_forum] problem with hybrid functionals and ionic steps   Paolo Giannozzi
• [Pw_forum] degauss in DOS calculation.   Jiayu Dai
  • [Pw_forum] degauss in DOS calculation.   Paolo Giannozzi
  • [Pw_forum] degauss in DOS calculation.   O. Baris Malcioglu
• [Pw_forum] about electron phonon coupling   程迎春
  • [Pw_forum] about electron phonon coupling   Paolo Giannozzi
• [Pw_forum] spinpolarized wannier90 calculations   Jan Felix Binder
  • [Pw_forum] spinpolarized wannier90 calculations   Gabriele Sclauzero
    • [Pw_forum] spinpolarized wannier90 calculations   Jan Felix Binder
• [Pw_forum] Errors in compilation, Pathscale 2.4   Marcos Veríssimo Alves
  • [Pw_forum] Errors in compilation, Pathscale 2.4   Lorenzo Paulatto
    • [Pw_forum] Errors in compilation, Pathscale 2.4   Marcos Veríssimo Alves
      • [Pw_forum] Errors in compilation, Pathscale 2.4   Marcos Veríssimo Alves
      • [Pw_forum] Errors in compilation, Pathscale 2.4   Paolo Giannozzi
      • [Pw_forum] Errors in compilation, Pathscale 2.4   Marcos Veríssimo Alves
• [Pw_forum] Benchmarking QE 4.1   Marcos Veríssimo Alves
  • [Pw_forum] Benchmarking QE 4.1   Lorenzo Paulatto
    • [Pw_forum] Benchmarking QE 4.1   Stefano Baroni
    • [Pw_forum] Benchmarking QE 4.1   Marcos Veríssimo Alves
    • [Pw_forum] Benchmarking QE 4.1   Paolo Giannozzi
• [Pw_forum] Joining PWSCF development   Norbert Nemec
  • [Pw_forum] Joining PWSCF development   Stefano Baroni
  • [Pw_forum] Joining PWSCF development   Andrea Ferretti
  • [Pw_forum] Parallel Installation Error   Masoud Nahali
    • [Pw_forum] Parallel Installation Error   Ngoc Linh Nguyen
    • [Pw_forum] Parallel Installation Error   Carlo Nervi
• [Pw_forum] bug report   程迎春
• [Pw_forum] What happens at REALLY large ectuwfc?   Brad Malone
  • [Pw_forum] What happens at REALLY large ectuwfc?   Nicola Marzari
    • [Pw_forum] What happens at REALLY large ectuwfc?   Paolo Giannozzi
  • [Pw_forum] What happens at REALLY large ectuwfc?   Lorenzo Paulatto
    • [Pw_forum] What happens at REALLY large ectuwfc?   Stefano Baroni
• [Pw_forum] Could we plot HOMO & LUMO for slab model in QE   vega lew
  • [Pw_forum] Could we plot HOMO & LUMO for slab model in QE   Nicholas E. Singh-Miller
• [Pw_forum] elastic constants and internal strain   Eduardo Ariel Menendez Proupin
  • [Pw_forum] elastic constants and internal strain   Stefano Baroni
• [Pw_forum] What happens at REALLY large ectuwfc?   Brad Malone
  • [Pw_forum] What happens at REALLY large ectuwfc?   Paolo Giannozzi
    • [Pw_forum] What happens at REALLY large ectuwfc?   O. Baris Malcioglu
      • [Pw_forum] What happens at REALLY large ectuwfc?   Stefano Baroni
  • [Pw_forum] What happens at REALLY large ectuwfc?   Brad Malone
• [Pw_forum] MKL binaries contained in CVS repo   Norbert Nemec
  • [Pw_forum] MKL binaries contained in CVS repo   Lorenzo Paulatto
    • [Pw_forum] MKL binaries contained in CVS repo   Norbert Nemec
• [Pw_forum] metadyn calculations   marsamos at democritos.it
• [Pw_forum] LDA+U   Максим Иванов
  • [Pw_forum] LDA+U   Mansoureh Pashangpour
  • [Pw_forum] LDA+U   Gabriele Sclauzero
• [Pw_forum] About phonon dispersion   Shyam Khambholja
  • [Pw_forum] About phonon dispersion   Lorenzo Paulatto
  • [Pw_forum] About phonon dispersion   Eyvaz Isaev
• [Pw_forum] Fwd: PLUMED tutorial announcement   marsamos at democritos.it
  • [Pw_forum] Fwd: PLUMED tutorial announcement   vega lew
    • [Pw_forum] Fwd: PLUMED tutorial announcement   Paolo Giannozzi
• [Pw_forum] Comments on Graphene on BN relaxation   mohamed sabri majdoub
  • [Pw_forum] Comments on Graphene on BN relaxation   Ngoc Linh Nguyen
    • [Pw_forum] Comments on Graphene on BN relaxation   mohamed sabri majdoub
      • [Pw_forum] Comments on Graphene on BN relaxation   Ngoc Linh Nguyen
      • [Pw_forum] Comments on Graphene on BN relaxation   mohamed sabri majdoub
      • [Pw_forum] Comments on Graphene on BN relaxation   Ngoc Linh Nguyen
• [Pw_forum] Body Centered Tetragonal   vtmtrinh at caltech.edu
  • [Pw_forum] Body Centered Tetragonal   Eyvaz Isaev
    • [Pw_forum] Body Centered Tetragonal   vtmtrinh at caltech.edu
      • [Pw_forum] Body Centered Tetragonal   Gabriele Sclauzero
  • [Pw_forum] Body Centered Tetragonal   Paolo Giannozzi
    • [Pw_forum] Body Centered Tetragonal   vtmtrinh at caltech.edu
      • [Pw_forum] Body Centered Tetragonal   Paolo Giannozzi
• [Pw_forum] Plotting isosurface with xcrysden   seunghwan lee
  • [Pw_forum] Plotting isosurface with xcrysden   vtmtrinh at caltech.edu
• [Pw_forum] CVS vs. SVN   Norbert Nemec
  • [Pw_forum] CVS vs. SVN   marsamos at democritos.it
    • [Pw_forum] CVS vs. SVN   Norbert Nemec
      • [Pw_forum] CVS vs. SVN   Stefano Baroni
      • [Pw_forum] CVS vs. SVN   Norbert Nemec
• [Pw_forum] about the creation of supercell with different tails   patriot pershing
  • [Pw_forum] about the creation of supercell with different tails   Ngoc Linh Nguyen
  • [Pw_forum] Fortran 77 compiler cannot create executables (Parallel Installation)   Masoud Nahali
    • [Pw_forum] Fortran 77 compiler cannot create executables (Parallel Installation)   Gabriele Sclauzero
    • [Pw_forum] Fortran 77 compiler cannot create executables (Parallel Installation)   Yuanliang Xie
      • [Pw_forum] Fortran 77 compiler cannot create executables (Parallel Installation)   O. Baris Malcioglu
• [Pw_forum] PPs for Fe   Jiayu Dai
• [Pw_forum] semiconductor electron-phonon interaction   kazempoor at ph.iut.ac.ir
• [Pw_forum] electric field in a hexagonal cell   Kolb, Brian
• [Pw_forum] can someone help!   george manyali
  • [Pw_forum] can someone help!   xirainbow
    • [Pw_forum] can someone help!   Nicola Marzari
  • [Pw_forum] can someone help!   Stefano de Gironcoli

Last message date: Sun Jan 31 09:23:45 CET 2010
Archived on: Sun Jan 31 09:24:09 CET 2010

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