November 2008 Archives by thread

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Starting: Sat Nov 1 00:16:17 CET 2008
Ending: Sun Nov 30 20:53:06 CET 2008
Messages: 260

• [Pw_forum] problem of cutoff convergence   平远
  • [Pw_forum] problem of cutoff convergence   平远
  • [Pw_forum] problem of cutoff convergence   S. K. S.
• [Pw_forum] Error in Espresso post-installation Test examples   Lorenzo Paulatto
• [Pw_forum] u caculate   wangqj1
  • [Pw_forum] u caculate   Matteo Cococcioni
• [Pw_forum] Projected density of states of phonon   Bipul Rakshit
  • [Pw_forum] Projected density of states of phonon   Bipul Rakshit
    • [Pw_forum] Projected density of states of phonon   Eyvaz Isaev
      • [Pw_forum] Projected density of states of phonon   Bipul Rakshit
• [Pw_forum] about u   wangqj1
  • [Pw_forum] Error in Espresso post-installation Test examples   D.A. Tompsett
    • [Pw_forum] Error in Espresso post-installation Test examples   Axel Kohlmeyer
      • [Pw_forum] Error in Espresso post-installation Test examples   D.A. Tompsett
      • [Pw_forum] Error in Espresso post-installation Test examples   Axel Kohlmeyer
      • [Pw_forum] Error in Espresso post-installation Test examples   D.A. Tompsett
      • [Pw_forum] Error in Espresso post-installation Test examples   Axel Kohlmeyer
      • [Pw_forum] Error in Espresso post-installation Test examples   David Tompsett
      • [Pw_forum] Error in Espresso post-installation Test examples   Paolo Giannozzi
• [Pw_forum] K point grid density in Electron-Phonon calculations   jtmullen at ncsu.edu
• [Pw_forum] help on "wrong total_weight"!   shangy
  • [Pw_forum] help on "wrong total_weight"!   Paolo Giannozzi
    • [Pw_forum] help on "wrong total_weight"!   Stefano de Gironcoli
      • [Pw_forum] help on "wrong total_weight"!   shangy
      • [Pw_forum] Error in Espresso post-installation Test examples   Paolo Giannozzi
• [Pw_forum] Projected density of states of phonon   lfhuang
• [Pw_forum] Mg and O pseudo potential   asa aravindh
• [Pw_forum] phonon mode and displace pattern   yumin qian
• [Pw_forum] (no subject)   Anna Maria Ferrari
• [Pw_forum] (no subject)   Anna Maria Ferrari
• [Pw_forum] Problem in execution of pw.x (qe-4.0.2)   Sangamesh B
  • [Pw_forum] Problem in execution of pw.x (qe-4.0.2)   Lorenzo Paulatto
    • [Pw_forum] Problem in execution of pw.x (qe-4.0.2)   Sangamesh B
• [Pw_forum] from read_namelist : error # 1 reading namelist system   Michele Amato
  • [Pw_forum] from read_namelist : error # 1 reading namelist system   Stefano de Gironcoli
  • [Pw_forum] from read_namelist : error # 1 reading namelist system   Giovanni Cantele
• [Pw_forum] Phonons at generic q-point   Benedek, Nicole A
  • [Pw_forum] Phonons at generic q-point   Dal Corso Andrea
• [Pw_forum] memory problem   Prasenjit Ghosh
  • [Pw_forum] memory problem   Paolo Giannozzi
    • [Pw_forum] memory problem   Prasenjit Ghosh
      • [Pw_forum] memory problem   Paolo Giannozzi
      • [Pw_forum] memory problem   Prasenjit Ghosh
      • [Pw_forum] memory problem   Paolo Giannozzi
• [Pw_forum] LO-TO splitting in insulators   Ravi Maranganti
• [Pw_forum] Is maxirr=N working in phonon calculations?   Serge Nakhmanson
  • [Pw_forum] Is maxirr=N working in phonon calculations?   Paolo Giannozzi
    • [Pw_forum] Is maxirr=N working in phonon calculations?   Serge Nakhmanson
      • [Pw_forum] Is maxirr=N working in phonon calculations?   Stefano Baroni
      • [Pw_forum] Is maxirr=N working in phonon calculations?   Stefano Baroni
      • [Pw_forum] Is maxirr=N working in phonon calculations?   Serge Nakhmanson
      • [Pw_forum] Is maxirr=N working in phonon calculations?   Paolo Giannozzi
• [Pw_forum] mpi error while running pw.x   Krishna chaitanya
  • [Pw_forum] mpi error while running pw.x   Paolo Giannozzi
• [Pw_forum] Libraries on Blue Gene/L   zhaofeng at Princeton.EDU
  • [Pw_forum] Libraries on Blue Gene/L   Paolo Giannozzi
  • [Pw_forum] Libraries on Blue Gene/L   Axel Kohlmeyer
• [Pw_forum] Regarding raman tensor components   Arun Kumar Manna
  • [Pw_forum] Regarding raman tensor components   Paolo Giannozzi
• [Pw_forum] DDDMMMFFFTTT----------   Noushin Madani
  • [Pw_forum] DDDMMMFFFTTT----------   Stefano Baroni
• [Pw_forum] compilation problem on sp5 at cineca   Prasenjit Ghosh
  • [Pw_forum] compilation problem on sp5 at cineca   Paolo Giannozzi
    • [Pw_forum] compilation problem on sp5 at cineca   Prasenjit Ghosh
      • [Pw_forum] compilation problem on sp5 at cineca   Paolo Giannozzi
      • [Pw_forum] compilation problem on sp5 at cineca   Prasenjit Ghosh
• [Pw_forum] espresso 4 _ parallel   loc duong ding
  • [Pw_forum] espresso 4 _ parallel   Paolo Giannozzi
  • [Pw_forum] espresso 4 _ parallel   Axel Kohlmeyer
• [Pw_forum] Total energy does not coverge with ecut   Timothy Mason
  • [Pw_forum] Total energy does not coverge with ecut   Lorenzo Paulatto
    • [Pw_forum] Total energy does not coverge with ecut   Timothy Mason
• [Pw_forum] Total energy does not coverge with ecut   prasenjit.jnc at gmail.com
  • [Pw_forum] Total energy does not coverge with ecut   Timothy Mason
    • [Pw_forum] Total energy does not coverge with ecut   Paolo Giannozzi
    • [Pw_forum] Total energy does not coverge with ecut   dario rocca
• [Pw_forum] is there any tools to have a look at the Charge distribution of Excited state   xu yuehua
• [Pw_forum] Question about calculating workfunction   Jiaye, Li
  • [Pw_forum] Question about calculating workfunction   Nicholas E. Singh-Miller
• [Pw_forum] espresso 4 _ parallel   loc duong ding
• [Pw_forum] espresso 4 _ parallel   loc duong ding
• [Pw_forum] gnuplot   Mansoureh Pashangpour
  • [Pw_forum] gnuplot   Axel Kohlmeyer
• [Pw_forum] GW   ali kazempoor
  • [Pw_forum] GW   Axel Kohlmeyer
  • [Pw_forum] GW   Adriano Mosca Conte
• [Pw_forum] Get wrong symmtry   yumin qian
  • [Pw_forum] Get wrong symmtry   Axel Kohlmeyer
    • [Pw_forum] Get wrong symmtry   Michael Mehl
      • [Pw_forum] Get wrong symmtry   yumin qian
      • [Pw_forum] Get wrong symmtry   Andrea Dal Corso
      • [Pw_forum] Get wrong symmtry   Paolo Giannozzi
      • [Pw_forum] Get wrong symmtry   yumin qian
      • [Pw_forum] Get wrong symmtry   lan haiping
• [Pw_forum] antiferro   ali kazempoor
  • [Pw_forum] antiferro   Gabriele Sclauzero
    • [Pw_forum] Vectors in rhombohedral cells   Marino Vetuschi Zuccolini
• [Pw_forum] Warnings   Álvaro Alves
  • [Pw_forum] Warnings   Lorenzo Paulatto
• [Pw_forum] specifying OH,ON etc in input files   WILLIAM J BROUWER
  • [Pw_forum] specifying OH,ON etc in input files   Paolo Giannozzi
    • [Pw_forum] specifying OH,ON etc in input files   Marcel Mohr
• [Pw_forum] error message from read_pseudo_mesh : error # 1 Reading pseudo file (R) for Ce   shruba at gmail.com
  • [Pw_forum] error message from read_pseudo_mesh : error # 1 Reading pseudo file (R) for Ce   Stefano Fabris
  • [Pw_forum] error message from read_pseudo_mesh : error # 1 Reading pseudo file (R) for Ce   Paolo Giannozzi
• [Pw_forum] LO -TO Splitting   Shyam
  • [Pw_forum] LO -TO Splitting   Shyam
    • [Pw_forum] LO -TO Splitting   Eyvaz Isaev
• [Pw_forum] specifying OH,ON etc in input files   WILLIAM J BROUWER
  • [Pw_forum] Could you please help me to cope with the error message   vega
    • [Pw_forum] Could you please help me to cope with the error message   Paolo Giannozzi
      • [Pw_forum] Could you please help me to cope with the error message   vega lew
  • [Pw_forum] Why my test-calculation is so slowly? SGI4700 for Si take about 1 hours   Lo_wan_2005XW
• [Pw_forum] Why my test-calculation is so slowly?   lfhuang
  • [Pw_forum] Why my test-calculation is so slowly? SGI4700 for Si take about 1 hours   Lo_wan_2005XW
• [Pw_forum] Two More Questions on k-points Generation   Paul M. Grant
  • [Pw_forum] Two More Questions on k-points Generation   Gabriele Sclauzero
• [Pw_forum] job submission script   Jelle van Sijl
  • [Pw_forum] job submission script   Lorenzo Paulatto
• [Pw_forum] Total energy does not converge with ecut   Eyvaz Isaev
  • [Pw_forum] PWSCF calculation for Nanostructures   sanjeev gupta
    • [Pw_forum] PWSCF calculation for Nanostructures   lan haiping
• [Pw_forum] Request   Eyvaz Isaev
  • [Pw_forum] PWSCF calculation for Nanostructures   sanjeev gupta
    • [Pw_forum] PWSCF calculation for Nanostructures   Prasenjit Ghosh
    • [Pw_forum] PWSCF calculation for Nanostructures   Prasenjit Ghosh
• [Pw_forum] How to get vacuum level   oulihui666
  • [Pw_forum] How to get vacuum level   lan haiping
    • [Pw_forum] How to get vacuum level   Stefano Baroni
  • [Pw_forum] How to get vacuum level   Nicola Marzari
• [Pw_forum] Bi-fully relativistic   babderre at physics.auth.gr
• [Pw_forum] (no subject)   fereydoon khazali
  • [Pw_forum] (no subject)   Eyvaz Isaev
• [Pw_forum] convergence problem   asa aravindh
  • [Pw_forum] convergence problem   Eyvaz Isaev
• [Pw_forum] sawtooth method   hanghui chen
• [Pw_forum] a possible problem in the routine add_efield.f90   hanghui chen
  • [Pw_forum] a possible problem in the routine add_efield.f90   Stefano Baroni
  • [Pw_forum] a possible problem in the routine add_efield.f90   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 17, Issue 32   asa aravindh
  • [Pw_forum] problem with polarization   hania djani-ait aissa
• [Pw_forum] phonon mode and atom displacements   yumin qian
• [Pw_forum] the vcsmd.f90   wangqj1
  • [Pw_forum] the vcsmd.f90   Stefano de Gironcoli
• [Pw_forum] problem with primitive cell   Krishna chaitanya
  • [Pw_forum] problem with primitive cell   Stefano de Gironcoli
• [Pw_forum] atoms displacements and symmetry   yumin qian
  • [Pw_forum] atoms displacements and symmetry   Paolo Giannozzi
    • [Pw_forum] atoms displacements and symmetry   yumin qian
• [Pw_forum] error of phonon in example07   shoutian sun
  • [Pw_forum] error of phonon in example07   Stefano de Gironcoli
  • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   vega lew
    • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   Paolo Giannozzi
      • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   Axel Kohlmeyer
      • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   vega lew
      • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   Axel Kohlmeyer
      • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   Paolo Giannozzi
      • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   Axel Kohlmeyer
    • [Pw_forum] /opt/intel/Compiler/11.0/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail   Giovanni Cantele
• [Pw_forum] ultrasoft pseudopotential and direct space analysis   ski2 at mail.uh.edu
  • [Pw_forum] ultrasoft pseudopotential and direct space analysis   Paolo Giannozzi
• [Pw_forum] problem with phonon calculation   Arun Kumar Manna
  • [Pw_forum] problem with phonon calculation   Paolo Giannozzi
• [Pw_forum] question about PDOS   Igor Pasti
  • [Pw_forum] question about PDOS   Paolo Giannozzi
• [Pw_forum] problem with phonon calculation   Paolo Giannozzi
• No subject  
• No subject  
• No subject  
• No subject  
• [Pw_forum] matdyn.x: why are input/output k-points in the units of 2pi/a_0?   Serge Nakhmanson
  • [Pw_forum] matdyn.x: why are input/output k-points in the units of 2pi/a_0?   Paolo Giannozzi
• [Pw_forum] (no subject)   Naol Regassa
  • [Pw_forum] (no subject)   Lorenzo Paulatto
    • [Pw_forum] On the UPF file format and pseudo-wave function   yukihiro_okuno at fujifilm.co.jp
      • [Pw_forum] On the UPF file format and pseudo-wave function   Lorenzo Paulatto
      • [Pw_forum] On the UPF file format and pseudo-wave function   Paolo Giannozzi
      • [Pw_forum] electronic density   jorge.gallardo at cab.cnea.gov.ar
      • [Pw_forum] electronic density   Stefano Baroni
      • [Pw_forum] electronic density   jorge.gallardo at cab.cnea.gov.ar
      • [Pw_forum] electronic density   Gabriele Sclauzero
      • [Pw_forum] electronic density   Stefano Baroni
• [Pw_forum] Slab relaxation   Jiaye, Li
  • [Pw_forum] Slab relaxation   Paolo Giannozzi
  • [Pw_forum] Slab relaxation   Lorenzo Paulatto
  • [Pw_forum] Slab relaxation   Eyvaz Isaev
• [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
  • [Pw_forum] IBM JS20 pw tests problems   Axel Kohlmeyer
    • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
    • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
  • [Pw_forum] IBM JS20 pw tests problems   Paolo Giannozzi
  • [Pw_forum] IBM JS20 pw tests problems   Lorenzo Paulatto
  • [Pw_forum] IBM JS20 pw tests problems   Paolo Giannozzi
    • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
      • [Pw_forum] IBM JS20 pw tests problems   Paolo Giannozzi
      • [Pw_forum] IBM JS20 pw tests problems   Lorenzo Paulatto
      • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
      • [Pw_forum] IBM JS20 pw tests problems   Lorenzo Paulatto
  • [Pw_forum] IBM JS20 pw tests problems   Paolo Giannozzi
    • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
      • [Pw_forum] IBM JS20 pw tests problems   Paolo Giannozzi
      • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
      • [Pw_forum] IBM JS20 pw tests problems   Paolo Giannozzi
      • [Pw_forum] IBM JS20 pw tests problems   Lazaro Calderin
• [Pw_forum] (no subject)   yaldaa kh
• [Pw_forum] Problems with integrated charge for a large supercell relaxation   JR Schmidt
  • [Pw_forum] Problems with integrated charge for a large supercell relaxation   Gabriele Sclauzero
    • [Pw_forum] Problems with integrated charge for a large supercell relaxation   JR Schmidt
      • [Pw_forum] Problems with integrated charge for a large supercell relaxation   Paolo Giannozzi
      • [Pw_forum] Problems with integrated charge for a large supercell relaxation   JR Schmidt
      • [Pw_forum] Problems with integrated charge for a large supercell relaxation   Paolo Giannozzi
  • [Pw_forum] Problems with integrated charge for a large supercell relaxation   Paolo Giannozzi
• [Pw_forum] slab   fereydoon khazali
  • [Pw_forum] slab   Stefano Baroni
• [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Rafael Dias Menezes
  • [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Paolo Giannozzi
• [Pw_forum] Is possible convert ABINIT pseudo potentials file to UPF format?   Rafael Dias Menezes
  • [Pw_forum] Is possible convert ABINIT pseudo potentials file to UPF format?   Paolo Giannozzi
• [Pw_forum] why the results obtained from pwscf have so big difference with experiment   xu yuehua
  • [Pw_forum] why the results obtained from pwscf have so big difference with experiment   Paolo Giannozzi
    • [Pw_forum] why the results obtained from pwscf have so big difference with experiment   xu yuehua
      • [Pw_forum] why the results obtained from pwscf have so big difference with experiment   Stefano Baroni
• [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   lan haiping
  • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   Paolo Giannozzi
    • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   lan haiping
      • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   Axel Kohlmeyer
      • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   JR Schmidt
      • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   Lorenzo Paulatto
      • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   lan haiping
      • [Pw_forum] a strange behavior for QE-v4 compared with QE-v3   lan haiping
• [Pw_forum] About el-ph coupling   Dai
  • [Pw_forum] About el-ph coupling   Eyvaz Isaev
• [Pw_forum] vc-relax   Timothy Mason
  • [Pw_forum] vc-relax   Stefano de Gironcoli
• [Pw_forum] About el-ph coupling   Dai
• [Pw_forum] binding energy for water adsorption at certain surface   vega lew
  • [Pw_forum] binding energy for water adsorption at certain surface   Paolo Giannozzi
    • [Pw_forum] binding energy for water adsorption at certain surface   vega lew
• [Pw_forum] Postdoc position available   fabio
• [Pw_forum] exchange correlation subroutine   meghdad saeedian
  • [Pw_forum] exchange correlation subroutine   Axel Kohlmeyer
  • [Pw_forum] exchange correlation subroutine   Giovanni Cantele
  • [Pw_forum] complex band   Manoj Srivastava
    • [Pw_forum] complex band   Alexander
      • [Pw_forum] complex band   Manoj Srivastava
• [Pw_forum] structure relaxation in the sawtooth method   hanghui chen
  • [Pw_forum] structure relaxation in the sawtooth method   Paolo Giannozzi
  • [Pw_forum] structure relaxation in the sawtooth method   Lorenzo Paulatto
• [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Rafael Dias Menezes
  • [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Axel Kohlmeyer
    • [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Ari P Seitsonen
      • [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Gabriele Sclauzero
      • [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria) meta-GGA for silicon   Rafael Dias Menezes
• [Pw_forum] Calculation of band diagram of cobalt ferrite   Yi-Kai Huang
  • [Pw_forum] Calculation of band diagram of cobalt ferrite   Lorenzo Paulatto
• [Pw_forum] slab   fereydoon khazali
  • [Pw_forum] slab   Eyvaz Isaev
  • [Pw_forum] slab   Axel Kohlmeyer
• [Pw_forum] relax   wangqj1
  • [Pw_forum] relax   Axel Kohlmeyer

Last message date: Sun Nov 30 20:53:06 CET 2008
Archived on: Fri Jan 2 16:34:22 CET 2009

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