May 2006 Archives by thread

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Starting: Mon May 1 22:33:13 CEST 2006
Ending: Wed May 31 17:55:33 CEST 2006
Messages: 211

• [Pw_forum] Re: vanderwaals   Nichols A. Romero
• [Pw_forum] symmetry problem in vc-relax   Paolo Giannozzi
• [Pw_forum] which k-point   Paolo Giannozzi
• [Pw_forum] error with pw.x   Ruslan Minibaev
  • [Pw_forum] error with pw.x   Paolo Giannozzi
• [Pw_forum] little suggestion   Xunlei Ding
  • [Pw_forum] little suggestion   Paolo Giannozzi
• [Pw_forum] Theoretical XES spectra   Alexander Shaposhnikov
  • [Pw_forum] Theoretical XES spectra   Stefano Baroni
• [Pw_forum] ld1.x and actinides   Dmitry Korotin
• [Pw_forum] Re: error with pw.x   Ruslan Minibaev
• [Pw_forum] Pu pseudopotential generation   Dmitry Korotin
  • [Pw_forum] Pu pseudopotential generation   Axel Kohlmeyer
  • [Pw_forum] Pu pseudopotential generation   Paolo Giannozzi
• [Pw_forum] getting restart files from local scratch directories in parallel runs   Eduardo Ariel Menendez P
  • [Pw_forum] getting restart files from local scratch directories in parallel runs   Konstantin Kudin
  • [Pw_forum] getting restart files from local scratch directories in parallel runs   Paolo Giannozzi
• [Pw_forum] Tutorial: Simulating matter at the nano-scale   Paolo Giannozzi
  • [Pw_forum] Number of iterations   H.S.Domingos
    • [Pw_forum] Number of iterations   Eyvaz Isaev
    • [Pw_forum] Dipole correction in vacuum, polar slabs   Conor Hogan
• [Pw_forum] titania crystal stucture   Luke Thulin
  • [Pw_forum] titania crystal stucture   aaron at chips.ncsu.edu
  • [Pw_forum] titania crystal stucture   José C. Conesa
    • [Pw_forum] titania crystal stucture   Luke Thulin
• [Pw_forum] question about band structure   Ezad Shojaee
  • [Pw_forum] question about band structure   Paolo Giannozzi
  • [Pw_forum] question about band structure   Luke Thulin
• [Pw_forum] pools and neb   Antonio Suriano
  • [Pw_forum] pools and neb   Paolo Giannozzi
    • [Pw_forum] pools and neb   Antonio Suriano
      • [Pw_forum] pools and neb   Paolo Giannozzi
  • [Pw_forum] pools and neb   carlo sbraccia
• [Pw_forum] compilation error in iotk   Bhagawan Sahu
  • [Pw_forum] compilation error in iotk   Paolo Giannozzi
    • [Pw_forum] compilation error in iotk   Bhagawan Sahu
      • [Pw_forum] compilation error in iotk   Axel Kohlmeyer
      • [Pw_forum] compilation error in iotk   Andrea Ferretti
      • [Pw_forum] compilation error in iotk   Paolo Giannozzi
      • [Pw_forum] compilation error in iotk   Bhagawan Sahu
      • [Pw_forum] compilation error in iotk   Bhagawan Sahu
      • [Pw_forum] compilation error in iotk   Paolo Giannozzi
• [Pw_forum] forces & energy conservation in cp   Antonio Tilocca
  • [Pw_forum] forces & energy conservation in cp   Paolo Giannozzi
• [Pw_forum] Using another basis set   Diep Quang Vinh
  • [Pw_forum] Using another basis set   Paolo Giannozzi
    • [Pw_forum] Using another basis set   Jean-Yves Raty
      • [Pw_forum] Using another basis set   Paolo Giannozzi
• [Pw_forum] USPP of In   Ruslan Minibaev
• [Pw_forum] Confused on nat definition   Luke Thulin
  • [Pw_forum] Confused on nat definition   Eyvaz Isaev
    • [Pw_forum] Confused on nat definition   Huiqun Zhou
      • [Pw_forum] Confused on nat definition   Stefano Baroni
      • [Pw_forum] Confused on nat definition   Luke Thulin
      • [Pw_forum] Confused on nat definition   Tone Kokalj
  • [Pw_forum] Confused on nat definition   degironc
• [Pw_forum] questions on wf_collect   Xunlei Ding
  • [Pw_forum] questions on wf_collect   Paolo Giannozzi
• [Pw_forum] parallel scaling in PWSCF   Nichols A. Romero
  • [Pw_forum] parallel scaling in PWSCF   Axel Kohlmeyer
• [Pw_forum] Espresso on Mac OSX 10.4   fabrizio cleri
• [Pw_forum] problems with cvs repository   Nichols A. Romero
  • [Pw_forum] problems with cvs repository   Paolo Giannozzi
• [Pw_forum] Error running pw.x   Erik Ylvisaker
  • [Pw_forum] Error running pw.x   Axel Kohlmeyer
    • [Pw_forum] Error running pw.x   Erik Ylvisaker
• [Pw_forum] read_file: problem reading .save files   Gabriele Sclauzero
  • [Pw_forum] read_file: problem reading .save files   Paolo Giannozzi
    • [Pw_forum] read_file: problem reading .save files   Konstantin Kudin
      • [Pw_forum] read_file: problem reading .save files   Paolo Giannozzi
• [Pw_forum] Re:Espresso on Mac OSX 10.4   cesards at msi.umn.edu
• [Pw_forum] numbering the wavefunction files   Sergey Lisenkov
  • [Pw_forum] numbering the wavefunction files   Paolo Giannozzi
• [Pw_forum] crystal structures' transformation   lan haiping
  • [Pw_forum] crystal structures' transformation   Paolo Giannozzi
• [Pw_forum] How to fix some atoms in the ph.x calculation   Xunlei Ding
• [Pw_forum] SOC   Bhagawan Sahu
  • [Pw_forum] SOC   Paolo Giannozzi
  • [Pw_forum] SOC   Andrea Dal Corso
    • [Pw_forum] SOC   Bhagawan Sahu
      • [Pw_forum] SOC   Paolo Giannozzi
    • [Pw_forum] SOC   Bhagawan Sahu
• [Pw_forum] Re: Dipole correction in vacuum, polar slabs   Guido Fratesi
• [Pw_forum] some problems on the phonon   英国 高
  • [Pw_forum] some problems on the phonon   英国 高
    • [Pw_forum] some problems on the phonon   Eyvaz Isaev
  • [Pw_forum] some problems on the phonon   Paolo Giannozzi
• [Pw_forum] NEC MathKeisan   wlyim at puccini.che.pitt.edu
  • [Pw_forum] NEC MathKeisan   Guido Roma
  • [Pw_forum] constraints   Guido Roma
    • [Pw_forum] constraints   Paolo Giannozzi
• [Pw_forum] parallel restart error   Prasenjit Ghosh
  • [Pw_forum] parallel restart error   Paolo Giannozzi
  • [Pw_forum] parallel restart error   PRASENJIT GHOSH
    • [Pw_forum] parallel restart error   degironc
      • [Pw_forum] parallel restart error   Prasenjit Ghosh
    • [Pw_forum] Charge density overwrite?   Conor Hogan
      • [Pw_forum] Charge density overwrite?   Paolo Giannozzi
      • [Pw_forum] Charge density overwrite?   Paolo Giannozzi
• [Pw_forum] compilation error   Bhagawan Sahu
  • [Pw_forum] compilation error   Paolo Giannozzi
    • [Pw_forum] compilation error   Bhagawan Sahu
      • [Pw_forum] compilation error   Paolo Giannozzi
      • [Pw_forum] compilation error   Bhagawan Sahu
      • [Pw_forum] compilation error   Sergey Lisenkov
      • [Pw_forum] compilation error   Paolo Giannozzi
• [Pw_forum] only one l state?   Dmitry Korotin
  • [Pw_forum] only one l state?   Paolo Giannozzi
    • [Pw_forum] only one l state?   Dmitry Korotin
      • [Pw_forum] only one l state?   Paolo Giannozzi
      • [Pw_forum] only one l state?   Dmitry Korotin
      • [Pw_forum] only one l state?   Paolo Giannozzi
• [Pw_forum] how ti obtain the 2-D charge density ?   an peng
  • [Pw_forum] how ti obtain the 2-D charge density ?   Paolo Giannozzi
• [Pw_forum] how to obtain the 2-D charge density ?   an peng
  • [Pw_forum] how to obtain the 2-D charge density ?   Paolo Giannozzi
• [Pw_forum] Problems installing Espresso 2.1 and 3.0   Marlon Pierce
  • [Pw_forum] Problems installing Espresso 2.1 and 3.0   Axel Kohlmeyer
• [Pw_forum] How to Fix certain atoms in relax calculation?   lan haiping
  • [Pw_forum] How to Fix certain atoms in relax calculation?   Axel Kohlmeyer
• [Pw_forum] INPUT file for average.x   lan haiping
  • [Pw_forum] INPUT file for average.x   Giovanni Cantele
    • [Pw_forum] INPUT file for average.x   lan haiping
      • [Pw_forum] INPUT file for average.x   Giovanni Cantele
• [Pw_forum] about band gap   Ezad Shojaee
  • [Pw_forum] about band gap   Giovanni Cantele
  • [Pw_forum] about band gap   Ezad Shojaee
    • [Pw_forum] about band gap   Giovanni Cantele
• [Pw_forum] PAW pseudos   Dmitry Korotin
  • [Pw_forum] PAW pseudos   Eyvaz Isaev
    • [Pw_forum] PAW pseudos   Axel Kohlmeyer
      • [Pw_forum] PAW pseudos   Eyvaz Isaev
• [Pw_forum] Symmetrized el-ph coupling   Andrea Marini
• [Pw_forum] question on random_matrix   Virginie Trinité
  • [Pw_forum] Quetion   H.S.Domingos
    • [Pw_forum] Quetion   Axel Kohlmeyer
  • [Pw_forum] question on random_matrix   Paolo Giannozzi
• [Pw_forum] symmetry operations   Miguel A. Salvadó
  • [Pw_forum] symmetry operations   degironc
    • [Pw_forum] symmetry operations   Miguel A. Salvadó
      • [Pw_forum] symmetry operations   degironc
      • [Pw_forum] symmetry operations   Miguel A. Salvadó
      • [Pw_forum] symmetry operations   Paolo Giannozzi
      • [Pw_forum] symmetry operations   Paolo Giannozzi
      • [Pw_forum] symmetry operations   Miguel A. Salvadó
• [Pw_forum] compilation in SGI   José C. Conesa
  • [Pw_forum] compilation in SGI   Andrea Ferretti
• [Pw_forum] phonon segmentation fault   Eduardo Ariel Menendez P
  • [Pw_forum] phonon segmentation fault   Paolo Giannozzi
• [Pw_forum] stress in CP and FFT grids   Konstantin Kudin
  • [Pw_forum] stress in CP and FFT grids   Axel Kohlmeyer
    • [Pw_forum] Re: stress in CP and FFT grids   Konstantin Kudin
      • [Pw_forum] Re: stress in CP and FFT grids   Axel Kohlmeyer
• [Pw_forum] Negative PDOS and Graphing of Energy Bands   John B Burdette
  • [Pw_forum] Negative PDOS and Graphing of Energy Bands   Paolo Giannozzi
• [Pw_forum] Re: Negative PDOS and Graphing of Energy Bands   John B Burdette
• [Pw_forum] wrong para?   B. Yanchitsky
  • [Pw_forum] wrong para?   Konstantin Kudin
• [Pw_forum] Ecutrho's choice   Jess Kondor
  • [Pw_forum] Ecutrho's choice   Paolo Giannozzi
• [Pw_forum] stability of fftw3 in qe-3.1   Sergey Lisenkov
  • [Pw_forum] stability of fftw3 in qe-3.1   Paolo Giannozzi
    • [Pw_forum] stability of fftw3 in qe-3.1   Sergey Lisenkov
• [Pw_forum] ld1.x and test   Dmitry Korotin
  • [Pw_forum] Re: ld1.x and test   Dmitry Korotin
  • [Pw_forum] ld1.x and test   Andrea Dal Corso
    • [Pw_forum] ld1.x and test   Dmitry Korotin
• [Pw_forum] Is it possible to convert the file format between 32 and 64 system?   Xunlei Ding
  • [Pw_forum] Is it possible to convert the file format between 32 and 64 system?   Andrea Ferretti
• [Pw_forum] Re: about electric field potential in pp.x   Xunlei Ding
  • [Pw_forum] Re: about electric field potential in pp.x   Paolo Giannozzi
  • [Pw_forum] Re: about electric field potential in pp.x   Xunlei Ding
    • [Pw_forum] Re: about electric field potential in pp.x   Paolo Giannozzi
      • [Pw_forum] Re: about electric field potential in pp.x   Xunlei Ding
• [Pw_forum] imaginary eigenvectors   Eric Abel
  • [Pw_forum] imaginary eigenvectors   Stefano de Gironcoli
  • [Pw_forum] imaginary eigenvectors   Horacio Wagner Leite Alves
• [Pw_forum] problem with gradient-corrected PP's   Ezad Shojaee
  • [Pw_forum] problem with gradient-corrected PP's   Eyvaz Isaev
• [Pw_forum] [Re] Is it possible to convert the file format between 32   Xunlei Ding
  • [Pw_forum] [Re] Is it possible to convert the file format between 32   Giovanni Bussi
    • [Pw_forum] [Re] Is it possible to convert the file format between 32   Xunlei Ding
      • [Pw_forum] [Re] Is it possible to convert the file format between 32   Paolo Giannozzi
• [Pw_forum] USPP of Zr (LDA)   Takahiro Shimada
• [Pw_forum] Different Gamma factors for Q-points in the same star   Andrea Marini
  • [Pw_forum] Different Gamma factors for Q-points in the same star   Eyvaz Isaev
  • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Andrea Marini
    • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Eyvaz Isaev
      • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Andrea Marini
      • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Stefano Baroni
      • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Eyvaz Isaev
      • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Andrea Marini
      • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Paolo Giannozzi
      • [Pw_forum] Re: Different Gamma factors for Q-points in the same star   Andrea Marini
• [Pw_forum] what' the meaning of *.axsf file by dynmat.x   针叶 朱
  • [Pw_forum] what' the meaning of *.axsf file by dynmat.x   Paolo Giannozzi
• [Pw_forum] about "free" structure   sun jason
  • [Pw_forum] about "free" structure   Paolo Giannozzi
    • [Pw_forum] about "free" structure   Eyvaz Isaev
• [Pw_forum] Monkhorst Pack k points   Cyrille Barreteau
  • [Pw_forum] Monkhorst Pack k points   Xunlei Ding
  • [Pw_forum] Monkhorst Pack k points   Paolo Giannozzi
    • [Pw_forum] Monkhorst Pack k points   Cyrille Barreteau
• [Pw_forum] how to convert crystal description   sun jason
  • [Pw_forum] how to convert crystal description   Paolo Giannozzi
• [Pw_forum] about GGA implementation   Ezad Shojaee
  • [Pw_forum] about GGA implementation   Nicola Marzari
    • [Pw_forum] about GGA implementation   Axel Kohlmeyer
  • [Pw_forum] about GGA implementation   Ezad Shojaee
• [Pw_forum] Questions about a soft Raman active phonon   Lijun Zhang
  • [Pw_forum] Questions about a soft Raman active phonon   Stefano Baroni

Last message date: Wed May 31 17:55:33 CEST 2006
Archived on: Wed Feb 28 10:49:56 CET 2018

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