May 2012 Archives by thread

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Starting: Tue May 1 09:43:18 CEST 2012
Ending: Thu May 31 22:05:39 CEST 2012
Messages: 231

• [Pw_forum] PP conversion from ABINIT format to UPF format   mayank gupta
  • [Pw_forum] PP conversion from ABINIT format to UPF format   Paolo Giannozzi
• [Pw_forum] Regarding instillation problem in cluster system   himanshu at iopb.res.in
  • [Pw_forum] Regarding instillation problem in cluster system   Axel Kohlmeyer
  • [Pw_forum] absorption   bf azi
    • [Pw_forum] absorption   Stefano de Gironcoli
• [Pw_forum] benzoic acid structure optimization   matt reish
  • [Pw_forum] benzoic acid structure optimization   Axel Kohlmeyer
    • [Pw_forum] benzoic acid structure optimization   matt reish
      • [Pw_forum] benzoic acid structure optimization   mohnish pandey
      • [Pw_forum] benzoic acid structure optimization   Giuseppe Mattioli
      • [Pw_forum] benzoic acid structure optimization   Axel Kohlmeyer
      • [Pw_forum] benzoic acid structure optimization   matt reish
  • [Pw_forum] KZK functional   Sam Azadi
    • [Pw_forum] KZK functional   Paolo Giannozzi
  • [Pw_forum] Job Termination and convergence   Victor Meng'wa
    • [Pw_forum] Job Termination and convergence   Simon Binnie
• [Pw_forum] nk1,nk2,nk3 selection rule for HCP   Divya Srivastava
  • [Pw_forum] nk1,nk2,nk3 selection rule for HCP   Stefano de Gironcoli
• [Pw_forum] PAW pseudopotential with gipaw reconstruction   Giuseppe Mattioli
• [Pw_forum] Polarization vectors and force constants file format   Iyad AL-QASIR
• [Pw_forum] chemical potential of an element   vicky singh
• [Pw_forum] How can I get the Tc Hopfield parameter and the average of the squared phonon frequencies.   Wei Zhou
• [Pw_forum] V_tot potential curve of vdw-DF is not smooth away from nuclei   PJ Ren
• [Pw_forum] PAW pseudopotential with gipaw reconstruction   Giuseppe Mattioli
  • [Pw_forum] PAW pseudopotential with gipaw reconstruction   Giuseppe Mattioli
    • [Pw_forum] PAW pseudopotential with gipaw reconstruction   Guido Fratesi
• [Pw_forum] Conversion from conventional to primitive cell   Peng Chen
  • [Pw_forum] Conversion from conventional to primitive cell   GAO Zhe
• [Pw_forum] PAW pseudopotential with gipaw reconstruction   Giuseppe Mattioli
• [Pw_forum] regarding weight factor   himanshu at iopb.res.in
  • [Pw_forum] band structur   somayeh fotohi
  • [Pw_forum] regarding weight factor   Paolo Giannozzi
• [Pw_forum] Force constants   Iyad AL-QASIR
  • [Pw_forum] Force constants   Dhruv Singh
• [Pw_forum] Conversion from conventional to primitive cell   Peng Chen
• [Pw_forum] HSE&PBE0 problem   debbichi mourad
  • [Pw_forum] HSE&PBE0 problem   debbichi mourad
    • [Pw_forum] HSE&PBE0 problem   Layla Martin-Samos
    • [Pw_forum] HSE&PBE0 problem   Paolo Giannozzi
  • [Pw_forum] QHA compilation   Abolore Musari
    • [Pw_forum] QHA compilation   Abolore Musari
    • [Pw_forum] QHA compilation   Lorenzo Paulatto
• [Pw_forum] Work function calculation   vasudevan m.v
  • [Pw_forum] Work function calculation   Stefano Baroni
  • [Pw_forum] smearing and electronic temperture   bhabya sahoo
    • [Pw_forum] smearing and electronic temperture   Stefano Baroni
• [Pw_forum] Magnetic susceptibility in GIPAW calculation   Peng Tao
  • [Pw_forum] Magnetic susceptibility in GIPAW calculation   Davide Ceresoli
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Jörg Buchwald
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Jörg Buchwald
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Nicola Marzari
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Mike Mehl
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Jörg Buchwald
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Nicola Marzari
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Axel Kohlmeyer
    • [Pw_forum] cutoff convergence of sapphire for elastic properties   Michael Mehl
• [Pw_forum] Regarding anharmonic IFCs   david yang
  • [Pw_forum] Regarding anharmonic IFCs   Lorenzo Paulatto
• [Pw_forum] too many bands are not converged   bf azi
  • [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP   Sven Heiles
    • [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP   Lorenzo Paulatto
    • [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP   Giovani Faccin
    • [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP   Lorenzo Paulatto
    • [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP   Giovani Faccin
• [Pw_forum] About Elastic Constants ?   zafar rasheed
  • [Pw_forum] About Elastic Constants ?   Michael Mehl
  • [Pw_forum] About Elastic Constants ?   Nicola Marzari
  • [Pw_forum] DOS per eV per volume   pari shok
    • [Pw_forum] DOS per eV per volume   Guido Fratesi
  • [Pw_forum] quick question about the input file for phonon calculations at a point   Elie M
    • [Pw_forum] quick question about the input file for phonon calculations at a point   Ajit Vallabhaneni
      • [Pw_forum] quick question about the input file for phonon calculations at a point   Elie M
    • [Pw_forum] quick question about the input file for phonon calculations at a point   Stefano de Gironcoli
• [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy   Magdalena Birowska
  • [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy   Giuseppe Mattioli
    • [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy   Paolo Giannozzi
    • [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy   Paolo Giannozzi
• [Pw_forum] Shift in K points   manoj narayanan
  • [Pw_forum] Shift in K points   Paolo Giannozzi
  • [Pw_forum] Pw_forum Digest, Vol 59, Issue 19   Magdalena Birowska
  • [Pw_forum] Pw_forum Digest, Vol 59, Issue 20   Magdalena Birowska
• [Pw_forum] Choosing awin for planar average calculations   Izaak Williamson
  • [Pw_forum] Choosing awin for planar average calculations   Paolo Giannozzi
  • [Pw_forum] occupations   bf azi
    • [Pw_forum] occupations   Lorenzo Paulatto
      • [Pw_forum] occupations   Gabriele Sclauzero
  • [Pw_forum] symmetry of the electron-phonon coupling coefficients   Alex Kutana
    • [Pw_forum] symmetry of the electron-phonon coupling coefficients   Stefano de Gironcoli
      • [Pw_forum] symmetry of the electron-phonon coupling coefficients   Alex Kutana
• [Pw_forum] Errors in PS-KS equation   jia chen
  • [Pw_forum] Errors in PS-KS equation   jia chen
    • [Pw_forum] Errors in PS-KS equation   Giuseppe Mattioli
  • [Pw_forum] Errors in PS-KS equation   Paolo Giannozzi
• [Pw_forum] DOS per eV/volume   pari shok
• [Pw_forum] error while installing QE   Amrit Abhilash
  • [Pw_forum] error while installing QE   Axel Kohlmeyer
• [Pw_forum] Calculation of lattic constants and bulk modulus od w-ZnO   zafar rasheed
  • [Pw_forum] Calculation of lattic constants and bulk modulus od w-ZnO   mohnish pandey
  • [Pw_forum] Calculation of lattic constants and bulk modulus od w-ZnO   Nicola Marzari
  • [Pw_forum] Harris-Foulkes estimate   bf azi
    • [Pw_forum] Harris-Foulkes estimate   Paolo Giannozzi
  • [Pw_forum] Irreps and vibrational modes   Elie M
    • [Pw_forum] Irreps and vibrational modes   Paolo Giannozzi
      • [Pw_forum] Irreps and vibrational modes   Elie M
• [Pw_forum] Quantum ESPRESSO release 5.0   Layla Martin-Samos
  • [Pw_forum] Quantum ESPRESSO release 5.0   Tone Kokalj
  • [Pw_forum] radius of the "core" in pseudopotential   DONG Rui
• [Pw_forum] radius of the "core" in pseudopotential   Lorenzo Paulatto
  • [Pw_forum] (no subject)   ramzi alaya
    • [Pw_forum] Questions on the warning message from relax calculation   Tram Bui
      • [Pw_forum] Questions on the warning message from relax calculation   Paolo Giannozzi
  • [Pw_forum] Splitting phonon calculation over q point and irr   Rui Mao
    • [Pw_forum] Splitting phonon calculation over q point and irr   Paolo Giannozzi
    • [Pw_forum] Splitting phonon calculation over q point and irr   Rui Mao
    • [Pw_forum] Splitting phonon calculation over q point and irr   Lorenzo Paulatto
• [Pw_forum] electron phonon   bhabya sahoo
  • [Pw_forum] electron phonon   Lorenzo Paulatto
  • [Pw_forum] el-ph calculations   Iyad AL-QASIR
    • [Pw_forum] el-ph calculations   Paolo Giannozzi
    • [Pw_forum] el-ph calculations   Iyad AL-QASIR
• [Pw_forum] some help on D3 code   david yang
  • [Pw_forum] some help on D3 code   Lorenzo Paulatto
• [Pw_forum] requesting for thermodynamical properties   Kondaiah Samudrala
  • [Pw_forum] Fwd: electron phonon   bhabya sahoo
    • [Pw_forum] Fwd: electron phonon   bhabya sahoo
• [Pw_forum] Reduced density gradient   jiayudai
  • [Pw_forum] Reduced density gradient   Davide Ceresoli
• [Pw_forum] Splitting phonon calculation over q point and irr   Lorenzo Paulatto
  • [Pw_forum] Splitting phonon calculation over q point and irr   Rui Mao
• [Pw_forum] A long relaxation   Pedro Augusto F. P. Moreira
  • [Pw_forum] A long relaxation   Guido Fratesi
    • [Pw_forum] Fwd: Re: A long relaxation   Pedro Augusto F. P. Moreira
• [Pw_forum] Determining Bandgap with DOS   Izaak Williamson
  • [Pw_forum] Determining Bandgap with DOS   Guido Fratesi
  • [Pw_forum] Determining Bandgap with DOS   Giuseppe Mattioli
• [Pw_forum] Help: About spin-polarization   Huazhong Liu
  • [Pw_forum] Help: About spin-polarization   Jia Chen
    • [Pw_forum] Help: About spin-polarization   Giuseppe Mattioli
    • [Pw_forum] Help: About spin-polarization   Paolo Giannozzi
    • [Pw_forum] Help: About spin-polarization   Giuseppe Mattioli
  • [Pw_forum] Change in the number of qe-forge users   Layla Martin-Samos
    • [Pw_forum] [Q-e-developers] Change in the number of qe-forge users   Filippo Spiga
    • [Pw_forum] [Q-e-developers] Change in the number of qe-forge users   Carlo Nervi
    • [Pw_forum] Change in the number of qe-forge users   Michael Banck
  • [Pw_forum] Quantum ESPRESSO Highlights 2011, thank s to all contributors   Layla Martin-Samos
• [Pw_forum] [Q-e-developers] [Pw_users] Change in the number of qe-forge users   Layla Martin-Samos
  • [Pw_forum] [Q-e-developers] [Pw_users] Change in the number of qe-forge users   Nichols A. Romero
• [Pw_forum] Change in the behavior of "Reply"   Paolo Giannozzi
  • [Pw_forum] Surface Band structure calculation   Victor Meng'wa
• [Pw_forum] symmetry operation not allowed   karan deep
• [Pw_forum] Reduced density gradient   jiayudai
  • [Pw_forum] Reduced density gradient   Davide Ceresoli
    • [Pw_forum] ld1.x and virtual.x compatibility   Marino Vetuschi Zuccolini
    • [Pw_forum] ld1.x and virtual.x compatibility   Paolo Giannozzi
    • [Pw_forum] ld1.x and virtual.x compatibility   Marino Vetuschi Zuccolini
  • [Pw_forum] Irreps and vibrational modes   Elie M
  • [Pw_forum] g77 compiler specification   Elie M
    • [Pw_forum] g77 compiler specification   wxpurw at wm.edu
• [Pw_forum] Problem with NEB run   Евгений Пермяков
  • [Pw_forum] Problem with NEB run   Paolo Giannozzi
  • [Pw_forum] Problem with NEB run   Евгений Пермяков
• [Pw_forum] Error in getting the transmission results.   pankaj sahota
  • [Pw_forum] Error in getting the transmission results.   Gabriele Sclauzero
  • [Pw_forum] (no subject)   ramzi alaya
    • [Pw_forum] (no subject)   Giuseppe Mattioli
• [Pw_forum] A little energy gap (~ 0.2 eV) for graphene   Cao TF
  • [Pw_forum] A little energy gap (~ 0.2 eV) for graphene   xirainbow
  • [Pw_forum] A little energy gap (~ 0.2 eV) for graphene   PJ Ren
    • [Pw_forum] A little energy gap (~ 0.2 eV) for graphene   Gabriele Sclauzero
  • [Pw_forum] A little energy gap (~ 0.2 eV) for graphene   Lorenzo Paulatto
• [Pw_forum] The phonon frequency unit in matdyn.x v5.0   GAO Zhe
  • [Pw_forum] The phonon frequency unit in matdyn.x v5.0   Paolo Giannozzi
    • [Pw_forum] The phonon frequency unit in matdyn.x v5.0   GAO Zhe
• [Pw_forum] The phonon frequency unit in matdyn.x v5.0 (sorry for the wrong Fig in last one)   GAO Zhe
• [Pw_forum] A little energy gap (~ 0.2 eV) for graphene   Cao TF
• [Pw_forum] Pseudopotentials for Pseudo-Hydrogens   Vic Bermudez
  • [Pw_forum] Pseudopotentials for Pseudo-Hydrogens   Paolo Giannozzi
    • [Pw_forum] Pseudopotentials for Pseudo-Hydrogens   Gabriele Sclauzero
    • [Pw_forum] Pseudopotentials for Pseudo-Hydrogens   Gabriele Sclauzero
  • [Pw_forum] Pseudopotentials for Ga   ramzi alaya
    • [Pw_forum] Pseudopotentials for Ga   Giuseppe Mattioli
  • [Pw_forum] Dielectric constant of metal oxides   mayank gupta
• [Pw_forum] GIPAW and nosymm   Carlo Nervi
  • [Pw_forum] GIPAW and nosymm   Davide Ceresoli
  • [Pw_forum] Using scalapack in PW/tests causes failures   Jack Deslippe
    • [Pw_forum] Using scalapack in PW/tests causes failures   Paolo Giannozzi
    • [Pw_forum] Using scalapack in PW/tests causes failures   Paolo Giannozzi
• [Pw_forum] Construction of PtH structure, wrong pointgroup problem   Bahadir Altintas
  • [Pw_forum] Construction of PtH structure, wrong pointgroup problem   Bahadir Altintas
    • [Pw_forum] Construction of PtH structure, wrong pointgroup problem   Paolo Giannozzi
    • [Pw_forum] Construction of PtH structure, wrong pointgroup problem   Bahadir Altintas
    • [Pw_forum] Construction of PtH structure, wrong pointgroup problem   Paolo Giannozzi
  • [Pw_forum] Is spin polarized vdW-DF implemented in QE 5.0?   Sahar Mirshamsi
    • [Pw_forum] Is spin polarized vdW-DF implemented in QE 5.0?   Giuseppe Mattioli
• [Pw_forum] HSE vs PBE   giacsport at libero.it
  • [Pw_forum] HSE vs PBE   Giuseppe Mattioli
• [Pw_forum] Problem...saw tooth like band structure for ZB GaN   bramha pandey
  • [Pw_forum] zone boundary is not coming out correctly   mayank gupta
• [Pw_forum] R: Re: HSE vs PBE   giacsport at libero.it
  • [Pw_forum] R: Re: HSE vs PBE   Giuseppe Mattioli
• [Pw_forum] virtual states in TDDFT (turbo_lanczos.x) calculations   Giuseppe Mattioli
  • [Pw_forum] virtual states in TDDFT (turbo_lanczos.x) calculations   O. Baris Malcioglu
    • [Pw_forum] virtual states in TDDFT (turbo_lanczos.x) calculations   Giuseppe Mattioli
• [Pw_forum] band parallelization in QE   jiayudai
  • [Pw_forum] band parallelization in QE   Stefano Baroni
• [Pw_forum] iotk error   Sergey Samsonov
  • [Pw_forum] piezoelectricity   hamid hasanzadeh
    • [Pw_forum] linking to math libraries in QE 5.0   m
      • [Pw_forum] linking to math libraries in QE 5.0   Paolo Giannozzi
    • [Pw_forum] linking to math libraries in QE 5.0   m
      • [Pw_forum] linking to math libraries in QE 5.0   Paolo Giannozzi
      • [Pw_forum] linking to math libraries in QE 5.0   m
      • [Pw_forum] linking to math libraries in QE 5.0   Axel Kohlmeyer
      • [Pw_forum] linking to math libraries in QE 5.0   Paolo Giannozzi
• [Pw_forum] starting and expecting charges are differ when using ph.x   Peng Tao
• [Pw_forum] publication   Sohail Ahmad
  • [Pw_forum] publication   Paolo Giannozzi
  • [Pw_forum] publication   Layla Martin-Samos
  • [Pw_forum] Do not match   Amir hosseini
    • [Pw_forum] Do not match   Lorenzo Paulatto
• [Pw_forum] problem with chdens with ibrav=0   Guido Fratesi
  • [Pw_forum] problem with chdens with ibrav=0   Paolo Giannozzi
  • [Pw_forum] pwscf question- R-halide comparison   Tony Phuc Hoang
    • [Pw_forum] slow speed of D3 code   david yang
• [Pw_forum] erroe in compilation Espresso-5.0   meghdad saeedian
  • [Pw_forum] erroe in compilation Espresso-5.0   Paolo Giannozzi
• [Pw_forum] NOSYM tag   giacsport at libero.it
  • [Pw_forum] NOSYM tag   Lorenzo Paulatto
• [Pw_forum] R: Re: NOSYM tag + atomization energy   giacsport at libero.it
  • [Pw_forum] R: Re: NOSYM tag + atomization energy   Paolo Giannozzi

Last message date: Thu May 31 22:05:39 CEST 2012
Archived on: Thu May 31 22:05:46 CEST 2012

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