April 2008 Archives by thread

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Starting: Tue Apr 1 08:48:21 CEST 2008
Ending: Wed Apr 30 22:57:40 CEST 2008
Messages: 240

• [Pw_forum] atomic nanocluster band calculation   sreekar guddeti
  • [Pw_forum] atomic nanocluster band calculation   lan haiping
• [Pw_forum] something was not well in the outfile of elph calculation   xu yuehua
• [Pw_forum] Exceptionally large charge density cut-off   Paolo Giannozzi
  • [Pw_forum] Exceptionally large charge density cut-off   Subhradip Ghosh
    • [Pw_forum] Exceptionally large charge density cut-off   Paolo Giannozzi
  • [Pw_forum] Error in vc-relax   Ezad Shojaee
    • [Pw_forum] Error in vc-relax   Paolo Giannozzi
• [Pw_forum] pain with bands.x   sreekar guddeti
  • [Pw_forum] pain with bands.x   Paolo Giannozzi
• [Pw_forum] from projwfc : error # 90 (fwd)   Karoly Nemeth
  • [Pw_forum] from projwfc : error # 90 (fwd)   Paolo Giannozzi
• [Pw_forum] MPI work via LSF   Charles Chen
  • [Pw_forum] MPI work via LSF   Paolo Giannozzi
• [Pw_forum] is there a tool for the IR curve from .vib.analysis file?   herofather
  • [Pw_forum] phonons by LDA+U   Ezad Shojaee
    • [Pw_forum] phonons by LDA+U   Henning Glawe
    • [Pw_forum] phonons by LDA+U   Matteo Cococcioni
• [Pw_forum] difference between P63 and P63/mmc space groups   Paolo Giannozzi
• [Pw_forum] fix lattice constants   wangjunjie1981_0
  • [Pw_forum] fix lattice constants   Lorenzo Paulatto
• [Pw_forum] example 05 band structure calculation   sreekar guddeti
  • [Pw_forum] example 05 band structure calculation   Paolo Giannozzi
  • [Pw_forum] MPI work via LSF   Paolo Giannozzi
• [Pw_forum] question pertaining to subroutine regterg   willy kohn
  • [Pw_forum] question pertaining to subroutine regterg   Stefano Baroni
  • [Pw_forum] question pertaining to subroutine regterg   willy kohn
  • [Pw_forum] Quantum Espresso Lab using cp.x   s305igun at mail.chem.itb.ac.id
  • [Pw_forum] Quantum Espresso Lab using cp.x   Paolo Giannozzi
  • [Pw_forum] Quantum Espresso Lab using cp.x   s305igun at mail.chem.itb.ac.id
  • [Pw_forum] question pertaining to subroutine regterg   Paolo Giannozzi
• [Pw_forum] The results of DOS calculation!   程迎春
  • [Pw_forum] The results of DOS calculation!   Miguel Martínez Canales
• [Pw_forum] matdyn.x input file problem   Kun Yin
  • [Pw_forum] matdyn.x input file problem   Paolo Giannozzi
  • [Pw_forum] matdyn.x input file problem   Kun Yin
  • [Pw_forum] matdyn.x input file problem   Paolo Giannozzi
  • [Pw_forum] A question about relaxing interfaces   Hongbin Zhang
    • [Pw_forum] A question about relaxing interfaces   peressi at ts.infn.it
• [Pw_forum] How to calculate the d-band center?   Fan Yang
  • [Pw_forum] How to calculate the d-band center?   Stefano Baroni
• [Pw_forum] compile error on Xeon with intel fortran   Min Seung Kyu
  • [Pw_forum] compile error on Xeon with intel fortran   lan haiping
    • [Pw_forum] compile error on Xeon with intel fortran   Axel Kohlmeyer
      • [Pw_forum] compile error on Xeon with intel fortran   Huiqun Zhou
      • [Pw_forum] compile error on Xeon with intel fortran   Axel Kohlmeyer
      • [Pw_forum] compile error on Xeon with intel fortran   Huiqun Zhou
  • [Pw_forum] compile error on Xeon with intel fortran   Axel Kohlmeyer
    • [Pw_forum] compile error on Xeon with intel fortran   Paolo Giannozzi
    • [Pw_forum] compile error on Xeon with intel fortran   Min Seung Kyu
• [Pw_forum] charge density landscape   Hashem Al-Yamani
• [Pw_forum] I do not receive messages since 28-March   Mahmoud Payami
  • [Pw_forum] I do not receive messages since 28-March   Stefano Baroni
  • [Pw_forum] I do not receive messages since 28-March   Paolo Giannozzi
  • [Pw_forum] I do not receive messages since 28-March   Mahmoud Payami Shabestari
• [Pw_forum] format UPF   S. K. S.
  • [Pw_forum] format UPF   Andrea Ferretti
  • [Pw_forum] problem with calculating elastic constants in AlAs   Ezad Shojaee
    • [Pw_forum] Fwd: How to calculate the d-band center?   Stefano Baroni
• [Pw_forum] parallel run of phonon calculation (ph.x)   Huiqun Zhou
  • [Pw_forum] parallel run of phonon calculation (ph.x)   Paolo Giannozzi
• [Pw_forum] question about nose-hoover thermostat-PWscf   Veronica Muriel Sanchez
  • [Pw_forum] question about nose-hoover thermostat-PWscf   Konstantin Kudin
    • [Pw_forum] question about nose-hoover thermostat-PWscf   Veronica Muriel Sanchez
      • [Pw_forum] question about nose-hoover thermostat-PWscf   Axel Kohlmeyer
• [Pw_forum] pseudopotential file format   sreekar guddeti
  • [Pw_forum] pseudopotential file format   Lorenzo Paulatto
• [Pw_forum] "MPI_COMM_RANK : Null communicator..." error through Platform LSF system   wangxinquan at tju.edu.cn
  • [Pw_forum] "MPI_COMM_RANK : Null communicator..." error through Platform LSF system   Axel Kohlmeyer
    • [Pw_forum] Band structure calculation HOWTO   Janos Kiss
      • [Pw_forum] Band structure calculation HOWTO   Paolo Giannozzi
• [Pw_forum] UPF file format   sreekar guddeti
  • [Pw_forum] UPF file format   Paolo Giannozzi
• [Pw_forum] "MPI_COMM_RANK : Null communicator..." error through Platform LSF system   wangxinquan
  • [Pw_forum] "MPI_COMM_RANK : Null communicator..." error through Platform LSF system   Paolo Giannozzi
  • [Pw_forum] inconsistent number of sticks in nscf calculation   Hande Ustunel
    • [Pw_forum] inconsistent number of sticks in nscf calculation   Paolo Giannozzi
    • [Pw_forum] inconsistent number of sticks in nscf calculation   Hande Ustunel
• [Pw_forum] (no subject)   程迎春
  • [Pw_forum] (no subject)   Stefano Baroni
• [Pw_forum] Resource usage on Single CPU vs MPI   Charles Chen
  • [Pw_forum] Resource usage on Single CPU vs MPI   Nicola Marzari
    • [Pw_forum] Resource usage on Single CPU vs MPI   Paolo Giannozzi
• [Pw_forum] Thanks   程迎春
  • [Pw_forum] Thanks   lan haiping
• [Pw_forum] Zero-norm error during PP generation   Chao Cao
  • [Pw_forum] Zero-norm error during PP generation   Lorenzo Paulatto
• [Pw_forum] "MPI_COMM_RANK : Null communicator..." error through Platform LSF system   wangxinquan
• [Pw_forum] Is 24cpu enough for 96 atoms relaxation?   wangxinquan
  • [Pw_forum] Is 24cpu enough for 96 atoms relaxation?   Paolo Giannozzi
• [Pw_forum] ld1.x bug in 4.0 CVS3   Chao Cao
  • [Pw_forum] ld1.x bug in 4.0 CVS3   Axel Kohlmeyer
  • [Pw_forum] ld1.x bug in 4.0 CVS3   Paolo Giannozzi
• [Pw_forum] prerelease "feature" in CPV   Axel Kohlmeyer
• [Pw_forum] d3.x   penghua8503
  • [Pw_forum] Problem with NEB   Janos Kiss
    • [Pw_forum] Problem with NEB   Paolo Giannozzi
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Yaser Rehem
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Yaser Rehem
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Axel Kohlmeyer
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Yaser Rehem
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Axel Kohlmeyer
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Yaser Rehem
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Paolo Giannozzi
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Yaser Rehem
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Paolo Giannozzi
    • [Pw_forum] Fortran runtime error during scf in 4.0cvs3   Yaser Rehem
  • [Pw_forum] Problem with NEB half solved   Janos Kiss
• [Pw_forum] PAW in 4.0CVS3   Chao Cao
  • [Pw_forum] PAW in 4.0CVS3   Axel Kohlmeyer
    • [Pw_forum] PAW in 4.0CVS3   Chao Cao
  • [Pw_forum] PAW in 4.0CVS3   Lorenzo Paulatto
• [Pw_forum] d3.x phonon life   penghua8503
• [Pw_forum] Query about restarting vc-relax   Phillip English
  • [Pw_forum] Query about restarting vc-relax   Axel Kohlmeyer
    • [Pw_forum] Query about restarting vc-relax   Paolo Giannozzi
• [Pw_forum] Query about restarting vc-relax (Cesar R.S. da Silva)   Cesar R.S. da Silva
  • [Pw_forum] fixed magnetic moment calculation   明文美
• [Pw_forum] Raman Intensity   程迎春
  • [Pw_forum] Raman Intensity   Paolo Giannozzi
    • [Pw_forum] Raman Intensity   程迎春
  • [Pw_forum] Raman Intensity   Eyvaz Isaev
    • [Pw_forum] Raman Intensity   程迎春
      • [Pw_forum] Raman Intensity   Paolo Giannozzi
      • [Pw_forum] Raman Intensity   程迎春
      • [Pw_forum] Raman Intensity   Paolo Giannozzi
      • [Pw_forum] Raman Intensity   程迎春
• [Pw_forum] symmetry operation not allowed   Lily Anh
  • [Pw_forum] symmetry operation not allowed   lan haiping
  • [Pw_forum] symmetry operation not allowed   Eyvaz Isaev
  • [Pw_forum] symmetry operation not allowed   Stefano de Gironcoli
• [Pw_forum] symmetry operation not allowed   Lily Anh
  • [Pw_forum] symmetry operation not allowed   Axel Kohlmeyer
  • [Pw_forum] symmetry operation not allowed   Stefano de Gironcoli
  • [Pw_forum] symmetry operation not allowed   Paolo Giannozzi
• [Pw_forum] warning   ali kazempoor
  • [Pw_forum] warning   Lorenzo Paulatto
• [Pw_forum] Choice of pseudpotential (d orbitals for Fe)   Cristian Degli Esposti Boschi
  • [Pw_forum] Choice of pseudpotential (d orbitals for Fe)   Paolo Giannozzi
  • [Pw_forum] Choice of pseudpotential (d orbitals for Fe)   Nicola Marzari
• [Pw_forum] cannot remap grid on k-point list   Li yan-ling
  • [Pw_forum] cannot remap grid on k-point list   Paolo Giannozzi
• [Pw_forum] pp   ali kazempoor
  • [Pw_forum] pp   Lorenzo Paulatto
  • [Pw_forum] el_ph_mat value in elphsum ?   明文美
    • [Pw_forum] el_ph_mat value in elphsum ?   Paolo Giannozzi
• [Pw_forum] warning in q2r.x   Subhradip Ghosh
  • [Pw_forum] warning in q2r.x   Paolo Giannozzi
• [Pw_forum] about lattice basis vectors?   Fan Yang
  • [Pw_forum] about lattice basis vectors?   Stefano de Gironcoli
• [Pw_forum] about lattice basis vectors?   Fan Yang
  • [Pw_forum] about lattice basis vectors?   Tone Kokalj
• [Pw_forum] about lattice basis vectors?   Fan Yang
• [Pw_forum] wrong nrztot   ambavale sagar
• [Pw_forum] wrong nrztot   ambavale sagar
  • [Pw_forum] wrong nrztot   Alexander
  • [Pw_forum] cp.x for graphite   s305igun at mail.chem.itb.ac.id
• [Pw_forum] carbon pseudopotential   Marci
  • [Pw_forum] carbon pseudopotential   Paolo Giannozzi
• [Pw_forum] OpenMPI on mac   Riccardo Sabatini
  • [Pw_forum] OpenMPI on mac   Yaser Rehem
• [Pw_forum] About lattice parameter   oulihui666
  • [Pw_forum] About lattice parameter   Axel Kohlmeyer
• [Pw_forum] phonon life calculation (third-order expansion coefficients) ?   penghua8503
• [Pw_forum] ewald   ali kazempoor
  • [Pw_forum] ewald   Stefano de Gironcoli
    • [Pw_forum] "charge is wrong"   Francesca Costanzo
      • [Pw_forum] "charge is wrong"   Paolo Giannozzi
      • [Pw_forum] "charge is wrong"   Francesca Costanzo
      • [Pw_forum] "charge is wrong"   O. Baris Malcioglu
      • [Pw_forum] "charge is wrong"   Chao Cao
      • [Pw_forum] "charge is wrong"   Eyvaz Isaev
      • [Pw_forum] "charge is wrong"   Paolo Giannozzi
      • [Pw_forum] "charge is wrong"   Francesca Costanzo
      • [Pw_forum] "charge is wrong"   Hong-Jian Feng
      • [Pw_forum] "charge is wrong"   Stefano de Gironcoli
      • [Pw_forum] "charge is wrong"   Francesca Costanzo
      • [Pw_forum] "charge is wrong"   Stefano de Gironcoli
• [Pw_forum] ELF   ali kazempoor
  • [Pw_forum] ELF   Paolo Giannozzi
  • [Pw_forum] ELF   Axel Kohlmeyer
• [Pw_forum] "charge is wrong"   Mark Kosmowski
• [Pw_forum] wrong nrztot   ambavale sagar
  • [Pw_forum] wrong nrztot   Alexander
• [Pw_forum] Compiling ESPRESSO 3.2.3 on Mac OS X PPC   jtmullen at ncsu.edu
  • [Pw_forum] Compiling ESPRESSO 3.2.3 on Mac OS X PPC   Paolo Giannozzi
• [Pw_forum] LSF problem?   Charles
  • [Pw_forum] LSF problem?   Axel Kohlmeyer
  • [Pw_forum] GIAPW LSF problem?   Charles Chen
    • [Pw_forum] GIAPW LSF problem?   Lorenzo Paulatto
      • [Pw_forum] GIAPW LSF problem?   Charles
      • [Pw_forum] GIAPW LSF problem?   Axel Kohlmeyer
      • [Pw_forum] GIAPW LSF problem?   Paolo Giannozzi
      • [Pw_forum] GIAPW LSF problem?   Lorenzo Paulatto
• [Pw_forum] OpenMPI problems with espresso 4.0cvs   Riccardo Sabatini
  • [Pw_forum] OpenMPI problems with espresso 4.0cvs   O. Baris Malcioglu
    • [Pw_forum] OpenMPI problems with espresso 4.0cvs   Riccardo Sabatini
  • [Pw_forum] OpenMPI problems with espresso 4.0cvs   Axel Kohlmeyer
    • [Pw_forum] OpenMPI problems with espresso 4.0cvs   Riccardo Sabatini
      • [Pw_forum] OpenMPI problems with espresso 4.0cvs   Paolo Giannozzi
      • [Pw_forum] OpenMPI problems with espresso 4.0cvs   Javier Antonio Montoya
• [Pw_forum] OpenMPI problems with espresso 4.0cvs   Riccardo Sabatini
  • [Pw_forum] Greeting from xingqiu chen   Stefano Baroni
  • [Pw_forum] First Principles Electrode Capacity Estimation   Yaser Rehem
  • [Pw_forum] for help inGaAs   顾辰杰
  • [Pw_forum] for help inGaAs   顾辰杰
    • [Pw_forum] for help inGaAs   Lorenzo Paulatto
    • [Pw_forum] for help inGaAs   Eyvaz Isaev
• [Pw_forum] [OT] How to identify NFE states ?   lan haiping
  • [Pw_forum] [OT] How to identify NFE states ?   Stefano Baroni
  • [Pw_forum] [OT] How to identify NFE states ?   lan haiping
  • [Pw_forum] [OT] How to identify NFE states ?   Stefano de Gironcoli
  • [Pw_forum] [OT] How to identify NFE states ?   lan haiping
  • [Pw_forum] bfgs vc-relax symmetry breaking   Yaser Rehem
• [Pw_forum] wrong nrztot   ambavale sagar
• [Pw_forum] Does anyone have Ge ultrasoft-PP for GGA?   xwzhang
  • [Pw_forum] Does anyone have Ge ultrasoft-PP for GGA?   Paolo Giannozzi
  • [Pw_forum] SCF output information when testing espresso4.0cvs3   Zheng Bing
    • [Pw_forum] SCF output information when testing espresso4.0cvs3   Paolo Giannozzi
      • [Pw_forum] SCF output information when testing espresso4.0cvs3   Stefano Baroni
      • [Pw_forum] SCF output information when testing espresso4.0cvs3   Paolo Giannozzi
      • [Pw_forum] SCF output information when testing espresso4.0cvs3   Zheng Bing
      • [Pw_forum] SCF output information when testing espresso4.0cvs3   Paolo Giannozzi
      • [Pw_forum] SCF output information when testing espresso4.0cvs3   Zheng Bing
• [Pw_forum] A possible bug of pp.x   胡树军 Shu-jun Hu
  • [Pw_forum] A possible bug of pp.x   Charles Chen
    • [Pw_forum] A possible bug of pp.x   Paolo Giannozzi
  • [Pw_forum] A possible bug of pp.x   Axel Kohlmeyer
    • [Pw_forum] Dear Professor   Stefano Baroni
• [Pw_forum] cannot remap grid on k-point list   Li yan-ling
  • [Pw_forum] cannot remap grid on k-point list   Stefano de Gironcoli
• [Pw_forum] Pseudoptential for Rb   Joshi Mitesh
  • [Pw_forum] Pseudoptential for Rb   Paolo Giannozzi
  • [Pw_forum] Restart problem in espresso4.0cvs3   Zheng Bing
    • [Pw_forum] Restart problem in espresso4.0cvs3   Paolo Giannozzi
    • [Pw_forum] Restart problem in espresso4.0cvs3   Zheng Bing
    • [Pw_forum] Restart problem in espresso4.0cvs3   Paolo Giannozzi
    • [Pw_forum] Restart problem in espresso4.0cvs3   Zheng Bing
    • [Pw_forum] Restart problem in espresso4.0cvs3   Paolo Giannozzi
• [Pw_forum] difference between nr1 and nrx1   Timo Thonhauser

Last message date: Wed Apr 30 22:57:40 CEST 2008
Archived on: Wed Apr 30 23:08:45 CEST 2008

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