March 2007 Archives by thread

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Starting: Thu Mar 1 05:55:37 CET 2007
Ending: Sat Mar 31 22:04:23 CEST 2007
Messages: 177

• [Pw_forum] Selective dynamics   A Sen
  • [Pw_forum] Selective dynamics   Xunlei Ding
• [Pw_forum] error in q2r.out   wangjunjie1981_0
  • [Pw_forum] error in q2r.out   Paolo Giannozzi
  • [Pw_forum] error in q2r.out   degironc
    • [Pw_forum] Berry Phase calculation in antimagnetic insulator   Paolo Giannozzi
• [Pw_forum] NEB   Marcello Rosini
  • [Pw_forum] NEB   Paolo Giannozzi
  • [Pw_forum] phonon elph espresso 3.2   Paolo Giannozzi
• [Pw_forum] NEB   Marcello Rosini
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1371 - 5 msgs   A Sen
  • [Pw_forum] phonon elph espresso 3.2   Paolo Giannozzi
• [Pw_forum] Pseudopotential problem about Mg   Lawrence Lee
  • [Pw_forum] Pseudopotential problem about Mg   Axel Kohlmeyer
    • [Pw_forum] Pseudopotential problem about Mg   Stefano Baroni
• [Pw_forum] masses in vc-relax calculations   Jess Kondor
• [Pw_forum] Re: masses in vc-relax calculations (Jess Kondor)   cesards at msi.umn.edu
  • [Pw_forum] Parallel pw compilation fftw.c warning   Marcel Mohr
  • [Pw_forum] phonon elph espresso 3.2   Andrea Floris
• [Pw_forum] Parallel pw compilation fftw.c warning   Eyvaz Isaev
• [Pw_forum] PWSCF and PAW   Chao Cao
  • [Pw_forum] PWSCF and PAW   degironc
• [Pw_forum] cell parameter   saman ghaderyan
  • [Pw_forum] cell parameter   Axel Kohlmeyer
• [Pw_forum] filelph   Amit Kumar
  • [Pw_forum] filelph   Paolo Giannozzi
• [Pw_forum] plotrho   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] plotrho   Axel Kohlmeyer
• [Pw_forum] Using fftw wrapper for intel mkl lib?   Detlef Schmicker
  • [Pw_forum] Using fftw wrapper for intel mkl lib?   Paolo Giannozzi
  • [Pw_forum] Using fftw wrapper for intel mkl lib?   Detlef Schmicker
  • [Pw_forum] Error restarting NEB calculation   Marcos Verissimo Alves
  • [Pw_forum] Error restarting NEB calculation   Paolo Giannozzi
  • [Pw_forum] Error restarting NEB calculation   Marcos Verissimo Alves
  • [Pw_forum] Using fftw wrapper for intel mkl lib?   Axel Kohlmeyer
• [Pw_forum] plotrho   ÇÍÓÇä ÚÑíÞÇÊ
• [Pw_forum] thanks   saman ghaderyan
  • [Pw_forum] thanks   Axel Kohlmeyer
• [Pw_forum] Abnormally Dielectric constant and Effective charges   ruizhi zhang
  • [Pw_forum] Abnormally Dielectric constant and Effective charges   Paolo Giannozzi
• [Pw_forum] Help me structure of V2O5 Crystal   Nguyen Ngoc Ha
  • [Pw_forum] Help me structure of V2O5 Crystal   lan haiping
    • [Pw_forum] Help me structure of V2O5 Crystal   Mike Mehl
• [Pw_forum] el-ph calculation   陳 少華
  • [Pw_forum] el-ph calculation   陳 少華
    • [Pw_forum] el-ph calculation   Paolo Giannozzi
• [Pw_forum] about vc-relax of graphite   li niu
  • [Pw_forum] about vc-relax of graphite   Detlef Schmicker
• [Pw_forum] filelph   Amit Kumar
  • [Pw_forum] filelph   Paolo Giannozzi
• [Pw_forum] Using NVIDIA CUDA for blas with pwscf   Detlef Schmicker
  • [Pw_forum] Using NVIDIA CUDA for blas with pwscf   Axel Kohlmeyer
• [Pw_forum] about vc-relax of graphite   li niu
  • [Pw_forum] about vc-relax of graphite   Paolo Giannozzi
• [Pw_forum] Example7   Amit Kumar
  • [Pw_forum] phonon   Ezad Shojaee
• [Pw_forum] relaxation   saman ghaderyan
  • [Pw_forum] relaxation   Axel Kohlmeyer
  • [Pw_forum] Can anyone help me with GaN p type doping   Daya sagar
    • [Pw_forum] Can anyone help me with GaN p type doping   lan haiping
      • [Pw_forum] Can anyone help me with GaN p type doping   Nichols A. Romero
• [Pw_forum] example07 of the QE-3.2 version   陳 少華
• [Pw_forum] Example07   Amit Kumar
• [Pw_forum] question on vc-relax   Guoying Gao
• [Pw_forum] vc-relax of graphite   li niu
  • [Pw_forum] vc-relax of graphite   lan haiping
    • [Pw_forum] vc-relax of graphite   Paolo Giannozzi
    • [Pw_forum] Access to 2nd order derivatives   Marcel Mohr
    • [Pw_forum] Access to 2nd order derivatives   Paolo Giannozzi
    • [Pw_forum] Access to 2nd order derivatives   Marcel Mohr
• [Pw_forum] problem with scf and nscf calculation!!   Federico Iori
  • [Pw_forum] problem with scf and nscf calculation!!   stewart at cnf.cornell.edu
  • [Pw_forum] problem with scf and nscf calculation!!   Conor Hogan
    • [Pw_forum] problem with scf and nscf calculation!!   Federico Iori
      • [Pw_forum] problem with scf and nscf calculation!!   Paolo Giannozzi
      • [Pw_forum] problem with scf and nscf calculation!!   Paolo Giannozzi
      • [Pw_forum] problem with scf and nscf calculation!!   Federico Iori
      • [Pw_forum] problem with scf and nscf calculation!!   Paolo Giannozzi
• [Pw_forum] Re: problem with scf and nscf calculation-input!!   Federico Iori
• [Pw_forum] Re: problem with scf and nscf calculation-input!!   Federico Iori
• [Pw_forum] K-Points and dipole correction   Daniele Passerone
  • [Pw_forum] K-Points and dipole correction   Paolo Giannozzi
• [Pw_forum] problem with band structure calculation   Sanjeev Kumar Gupta
• [Pw_forum] inequivalent atoms of the same type   W. YU
  • [Pw_forum] inequivalent atoms of the same type   Xunlei Ding
    • [Pw_forum] inequivalent atoms of the same type   Paolo Giannozzi
• [Pw_forum] [Pw_forum]Problems in the generation of I pseudopotential   yupiaofei(SDU)
  • [Pw_forum] [Pw_forum]Problems in the generation of I pseudopotential   Paolo Giannozzi
• [Pw_forum] Phonon crash   Miguel Martínez Canales
  • [Pw_forum] Phonon crash   Andrea Dal Corso
  • [Pw_forum] Phonon crash   Miguel Martínez Canales
• [Pw_forum] error on XD1 platform   Sergey Lisenkov
  • [Pw_forum] error on XD1 platform   Andrea Ferretti
    • [Pw_forum] Re: Problems on ESPRESSO compilation   Stefano Baroni
    • [Pw_forum] Re: Problems on ESPRESSO compilation   Paolo Giannozzi
• [Pw_forum] calculation of magnetization at each atom site of a super cell   Prithwish Nandi
  • [Pw_forum] calculation of magnetization at each atom site of a super cell   Axel Kohlmeyer
    • [Pw_forum] About restarting neb calculations   Marcos Verissimo Alves
    • [Pw_forum] About restarting neb calculations   Xunlei Ding
• [Pw_forum] Error message with pw2wannier.x   Brad Malone
  • [Pw_forum] Error message with pw2wannier.x   Nicola Marzari
• [Pw_forum] Re: Re: Error message with pw2wannier.x   Brad Malone
• [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   Konstantin Kudin
  • [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   Andrea Ferretti
    • [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   Konstantin Kudin
      • [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   Andrea Ferretti
      • [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   Paolo Giannozzi
• [Pw_forum] slow convergency in non-collinear calculations   Javad hashemifar
• [Pw_forum] Is the CG diagonalization suitable for the general matrix?   xqhu at duke.edu
  • [Pw_forum] Is the CG diagonalization suitable for the general matrix?   Paolo Giannozzi
  • [Pw_forum] Is the CG diagonalization suitable for the general matrix?   Stefano Baroni
• [Pw_forum] cell size dependence of Wannier spreads   Konstantin Kudin
  • [Pw_forum] cell size dependence of Wannier spreads   Nicola Marzari
• [Pw_forum] vc-relax of graphite   li niu
  • [Pw_forum] vc-relax of graphite   Jin Zhang
• [Pw_forum] pp.x crashing with fixed occupations   Conor Hogan
  • [Pw_forum] Oscillation behavior for structure optimization   yukihiro_okuno at fujifilm.co.jp
    • [Pw_forum] Oscillation behavior for structure optimization   ruizhi zhang
• [Pw_forum] calculation crash   lan haiping
  • [Pw_forum] calculation crash   Paolo Giannozzi
  • [Pw_forum] Confused by BO/FPMD/CP   naivebamboo Huang
• [Pw_forum] external potential and partial wavefunctions   Zhiping Yin
  • [Pw_forum] external potential and partial wavefunctions   Guido Fratesi
    • [Pw_forum] external potential and partial wavefunctions   Zhiping Yin
      • [Pw_forum] external potential and partial wavefunctions   Guido Fratesi
      • [Pw_forum] external potential and partial wavefunctions   Zhiping Yin
      • [Pw_forum] external potential and partial wavefunctions   Guido Fratesi
• [Pw_forum] Inconsistent pp.x and projwfc.x results?   Conor Hogan
  • [Pw_forum] Inconsistent pp.x and projwfc.x results?   Paolo Giannozzi
• [Pw_forum] negative e-ph coupling constant lambda(q)   陳 少華
• [Pw_forum] Aluminium EPC at X   Amit Kumar
  • [Pw_forum] Aluminium EPC at X   Nicola Marzari
    • [Pw_forum] Aluminium EPC at X   Paolo Giannozzi
• [Pw_forum] masses and dt in vc-relax   Jess Kondor
  • [Pw_forum] masses and dt in vc-relax   Paolo Giannozzi
• [Pw_forum] Problem with pp.x   Francesco.Stellato at roma2.infn.it
  • [Pw_forum] Problem with pp.x   Stefano de Gironcoli
    • [Pw_forum] Problem with pp.x   Velia Minicozzi
    • [Pw_forum] Problem with pp.x   Paolo Giannozzi
• [Pw_forum] Does anyone have RRKJ uspp for Cr?   Chao Cao
  • [Pw_forum] Does anyone have RRKJ uspp for Cr?   degironc
    • [Pw_forum] Does anyone have RRKJ uspp for Cr?   Nicola Marzari
      • [Pw_forum] Does anyone have RRKJ uspp for Cr?   Chao Cao
      • [Pw_forum] Does anyone have RRKJ uspp for Cr?   Nicola Marzari
• [Pw_forum] projwfc.x   姚新欣
  • [Pw_forum] grid without symmtrical problem   Ezad Shojaee
    • [Pw_forum] grid without symmtrical problem   degironc
• [Pw_forum] (no subject)   hyello25 Qgrui
• [Pw_forum] warings in scf.out   陳 少華
  • [Pw_forum] warings in scf.out   Stefano Baroni
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1399 - 12 msgs   saman ghaderyan
  • [Pw_forum] Re: Pw_forum digest, Vol 1 #1399 - 12 msgs   Axel Kohlmeyer
  • [Pw_forum] grid without symmetrical problem   Ezad Shojaee
  • [Pw_forum] grid without symmetrical problem   Ezad Shojaee
    • [Pw_forum] Segmentation fault in Berry Phase calculation   yukihiro_okuno at fujifilm.co.jp
      • [Pw_forum] Segmentation fault in Berry Phase calculation   Axel Kohlmeyer
• [Pw_forum] how to obtain a optimized lattice constant   li niu
  • [Pw_forum] how to obtain a optimized lattice constant   Nichols A. Romero
• [Pw_forum] how to use fqha.x in pwtools   hyello25 Qgrui
• [Pw_forum] Question on chdens and Xcrysden   Federico Iori
  • [Pw_forum] Question on chdens and Xcrysden   Jin Zhang
• [Pw_forum] how to use fqha.x in pwtools   Eyvaz Isaev
• [Pw_forum] Segmentation fault in Berry Phase calculation   Eyvaz Isaev
• [Pw_forum] Strange behaviour of QE3.2 on a cluster   Eyvaz Isaev
• [Pw_forum] symmetry operations in vc-relax   yaoxinxin
• [Pw_forum] symmetry operations in vc-relax   Eyvaz Isaev
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Gilles Hug
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Paolo Giannozzi
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Gilles Hug
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Matteo Cococcioni
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Gilles Hug
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1399 - 12 msgs   Eyvaz Isaev
  • please don't reply to digests. Re: [Pw_forum] Re: Pw_forum digest, Vol 1 #1399 - 12 msgs   Axel Kohlmeyer
• [Pw_forum] EPC of Al at X   Amit Kumar
• [Pw_forum] EPC of Aluminium at X   Amit Kumar
• [Pw_forum] thanks   saman ghaderyan
  • [Pw_forum] thanks   Nicola Marzari

Last message date: Sat Mar 31 22:04:23 CEST 2007
Archived on: Tue Jul 10 14:24:18 CEST 2007

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