May 2007 Archives by thread

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Starting: Tue May 1 04:07:26 CEST 2007
Ending: Thu May 31 23:17:00 CEST 2007
Messages: 192

• [Pw_forum] on finite electric methods to calulate vibrational properties   li niu
• [Pw_forum] Fwd: nanowire   ali kazempoor
• [Pw_forum] LO-TO splitting   Ezad Shojaee
  • [Pw_forum] LO-TO splitting   Marcel Mohr
  • [Pw_forum] LO-TO splitting   Ezad Shojaee
    • [Pw_forum] LO-TO splitting   Axel Kohlmeyer
    • [Pw_forum] LO-TO splitting   degironc
• [Pw_forum] nanowire   ali kazempoor
• [Pw_forum] Re: on finite electric methods to calulate vibrational properties   Paolo Umari
• [Pw_forum] Some electron-phonon questions   Miguel Mart=?US-ASCII?Q?=ED?=nez
  • [Pw_forum] Some electron-phonon questions   Paolo Giannozzi
    • [Pw_forum] Some electron-phonon questions   Miguel Martínez Canales
• [Pw_forum] transition state   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] transition state   Axel Kohlmeyer
  • [Pw_forum] transition state   roma
    • [Pw_forum] compilation problem   Vivek Ranjan
      • [Pw_forum] compilation problem   Vivek Ranjan
      • [Pw_forum] Compilation Problem   vu ongphuong
      • [Pw_forum] Compilation Problem   Paolo Giannozzi
      • [Pw_forum] compilation problem   Paolo Giannozzi
      • [Pw_forum] compilation problem   Davide Ceresoli
• [Pw_forum] iotk_scan_dat & dos.x   Paolo Giannozzi
  • [Pw_forum] iotk_scan_dat & dos.x   Paul M. Grant
    • [Pw_forum] iotk_scan_dat & dos.x   Paolo Giannozzi
• [Pw_forum] equilibrium lattice parameters   Jess Kondor
  • [Pw_forum] equilibrium lattice parameters   Stefano Baroni
• [Pw_forum] Installation error   Hashem Al-Yamani
  • [Pw_forum] Installation error   Davide Ceresoli
• [Pw_forum] A question about pp.x and potential output   Peter Winey
  • [Pw_forum] A question about pp.x and potential output   Guido Fratesi
    • [Pw_forum] A question about pp.x and potential output   Peter Winey
    • [Pw_forum] CO and N2 Crystals   Amos Leffler
      • [Pw_forum] CO and N2 Crystals   Nicola Marzari
      • [Pw_forum] CO and N2 Crystals   Amos Leffler
• [Pw_forum] supercell   ali kazempoor
  • [Pw_forum] supercell   Xunlei Ding
• [Pw_forum] Fermi Energy   Javad hashemifar
  • [Pw_forum] Fermi Energy   Paolo Giannozzi
• [Pw_forum] optimization   ali kazempoor
  • [Pw_forum] optimization   Axel Kohlmeyer
• [Pw_forum] ecut   ali kazempoor
  • [Pw_forum] ecut   Matteo Cococcioni
• [Pw_forum] Compilation Error   Eric Abel
  • [Pw_forum] Compilation Error   Andrea Ferretti
    • [Pw_forum] Compilation Error   Eric Abel
• [Pw_forum] monkhorst-pack grid   Ezad Shojaee
• [Pw_forum] pw.x configuration on AMD opteron with ifort/pgi/mkl/acml (CASPUR)   Conor Hogan
  • [Pw_forum] pw.x configuration on AMD opteron with ifort/pgi/mkl/acml (CASPUR)   Axel Kohlmeyer
• [Pw_forum] configure error   陳 少華
  • [Pw_forum] configure error   Paolo Giannozzi
• [Pw_forum] a question about nbnd setting in band structure calculation   Peter Winey
  • [Pw_forum] a question about nbnd setting in band structure calculation   Paolo Giannozzi
• [Pw_forum] Redhat linux PCs ESPRESSO compilation   Miriam Marques
  • [Pw_forum] Redhat linux PCs ESPRESSO compilation   Davide Ceresoli
  • [Pw_forum] Redhat linux PCs ESPRESSO compilation   Paolo Giannozzi
    • [Pw_forum] Redhat linux PCs ESPRESSO compilation   Miriam Marques
      • [Pw_forum] Redhat linux PCs ESPRESSO compilation   Paolo Giannozzi
• [Pw_forum] correct pseudopotentials   ali kazempoor
  • [Pw_forum] correct pseudopotentials   degironc
  • [Pw_forum] correct pseudopotentials   Axel Kohlmeyer
• [Pw_forum] Mn pseudopotential   ali kazempoor
• [Pw_forum] MgFeO LDA+U convergence problem   sasha
  • [Pw_forum] MgFeO LDA+U convergence problem   Matteo Cococcioni
    • [Pw_forum] MgFeO LDA+U convergence problem   sasha
      • [Pw_forum] Single precision FFTs on GPUs for QE ?   Konstantin Kudin
      • [Pw_forum] Single precision FFTs on GPUs for QE ?   Axel Kohlmeyer
      • [Pw_forum] Single precision FFTs on GPUs for QE ?   Konstantin Kudin
      • [Pw_forum] Single precision FFTs on GPUs for QE ?   Axel Kohlmeyer
      • [Pw_forum] Single precision FFTs on GPUs for QE ?   xu yuehua
      • [Pw_forum] MgFeO LDA+U convergence problem   Matteo Cococcioni
• [Pw_forum] Getting the points for the bandstructure path   Brad Malone
  • [Pw_forum] Getting the points for the bandstructure path   Paolo Giannozzi
• [Pw_forum] l, m pdos   Aritz Leonardo Liceranzu
  • [Pw_forum] l, m pdos   Paolo Giannozzi
• [Pw_forum] Running the examples   Ary Junior
  • [Pw_forum] Running the examples   Paolo Giannozzi
  • [Pw_forum] Running the examples   Eyvaz Isaev
• [Pw_forum] where can i find the code VDW?   戴佳钰
  • [Pw_forum] where can i find the code VDW?   Eyvaz Isaev
• [Pw_forum] Na phonon issues   Miguel Martínez Canales
  • [Pw_forum] Na phonon issues   Nicola Marzari
    • [Pw_forum] Na phonon issues   Miguel Martínez Canales
      • [Pw_forum] Na phonon issues   Nicola Marzari
      • [Pw_forum] Na phonon issues   Miguel Martínez Canales
      • [Pw_forum] Na phonon issues   Nicola Marzari
  • [Pw_forum] Na phonon issues   Paolo Giannozzi
    • [Pw_forum] Na phonon issues   Miguel Martínez Canales
• [Pw_forum] problem LDA+U with Cr ( In tabd.f90 )   yukihiro_okuno at fujifilm.co.jp
  • [Pw_forum] problem LDA+U with Cr ( In tabd.f90 )   Matteo Cococcioni
• [Pw_forum] Need help for compilation   vu ongphuong
  • [Pw_forum] Need help for compilation   Miguel Martínez Canales
  • [Pw_forum] Need help for compilation   Eyvaz Isaev
• [Pw_forum] example01 errors;conjugate-gradient algorithm;changing code functionals   Helen
  • [Pw_forum] example01 errors;conjugate-gradient algorithm;changing code functionals   Axel Kohlmeyer
  • [Pw_forum] example01 errors;conjugate-gradient algorithm;changing code functionals   Helen
    • [Pw_forum] example01 errors;conjugate-gradient algorithm;changing code functionals   Axel Kohlmeyer
    • [Pw_forum] example01 errors;conjugate-gradient algorithm;changing code functionals   Paolo Giannozzi
• [Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals   xu yuehua
  • [Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals   Nicola Marzari
    • [Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals   xu yuehua
      • [Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals   Nicola Marzari
      • [Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals   xu yuehua
    • [Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals   Stefano Baroni
      • [Pw_forum] Re: [Pw_forum]Papers   Eyvaz Isaev
      • [Pw_forum] Re: [Pw_forum]Papers   Nicola Marzari
      • [Pw_forum] Re: [Pw_forum]Papers   Eyvaz Isaev
• [Pw_forum] A question about electron phonon coupling calculation   Chao Cao
  • [Pw_forum] A question about electron phonon coupling calculation   Stefano de Gironcoli
• [Pw_forum] CPU times   Amos Leffler
  • [Pw_forum] CPU times   Paul M. Grant
  • [Pw_forum] CPU times   Axel Kohlmeyer
    • [Pw_forum] CPU times   Paolo Giannozzi
• [Pw_forum] plotband variables meaning   Hashem Al-Yamani
  • [Pw_forum] plotband variables meaning   Miguel Martínez Canales
  • [Pw_forum] plotband variables meaning   Lorenzo Paulatto
• [Pw_forum] from ibrav=0 to 1   li niu
  • [Pw_forum] from ibrav=0 to 1   degironc
• [Pw_forum] finite electric field method   li niu
• [Pw_forum] projwfc analysis   Jess Kondor
  • [Pw_forum] projwfc analysis   Paolo Giannozzi
    • [Pw_forum] projwfc analysis   Jess Kondor
• [Pw_forum] some questions about compiling espresso3.2   Chaohao Hu
  • [Pw_forum] some questions about compiling espresso3.2   Stefano Baroni
    • [Pw_forum] some questions about compiling espresso3.2   Chaohao Hu
      • [Pw_forum] some questions about compiling espresso3.2   Paolo Giannozzi
      • [Pw_forum] some questions about compiling espresso3.2   Chaohao Hu
      • [Pw_forum] some questions about compiling espresso3.2   Nicola Marzari
• [Pw_forum] Re: finite electric field method (li niu)   umari at democritos.it
• [Pw_forum] Parallel installation error???   Hashem Al-Yamani
  • [Pw_forum] Parallel installation error???   Lorenzo Paulatto
  • [Pw_forum] Parallel installation error???   Paolo Giannozzi
    • [Pw_forum] Parallel installation error???   Stefano Baroni
• [Pw_forum] dynamt.x error   xu yuehua
• [Pw_forum] atomic coordinates from angstrom to crystal format   li niu
  • [Pw_forum] atomic coordinates from angstrom to crystal format   Eyvaz Isaev
  • [Pw_forum] atomic coordinates from angstrom to crystal format   Xunlei Ding
  • [Pw_forum] atomic coordinates from angstrom to crystal format   degironc
• [Pw_forum] uncertainty about the *.dynG file :what is "cubic" mean ? and what is the difference between *.dyn and *. matdyn file ?   xu yuehua
  • [Pw_forum] uncertainty about the *.dynG file :what is "cubic" mean ? and what is the difference between *.dyn and *. matdyn file ?   Xunlei Ding
  • [Pw_forum] uncertainty about the *.dynG file :what is "cubic" mean ? and what is the difference between *.dyn and *. matdyn file ?   degironc
    • [Pw_forum] uncertainty about the *.dynG file :what is "cubic" mean ? and what is the difference between *.dyn and *. matdyn file ?   xu yuehua
• [Pw_forum] in ralax out file :what the tau( 1) stand for ?   xu yuehua
  • [Pw_forum] in ralax out file :what the tau( 1) stand for ?   Eyvaz Isaev
• [Pw_forum] How can I generate the USPP of hafnium used by PWSCF?   Hongyi Zhao
  • [Pw_forum] How can I generate the USPP of hafnium used by PWSCF?   Nicola Marzari
    • [Pw_forum] How can I generate the USPP of hafnium used by PWSCF?   Hongyi Zhao
• [Pw_forum] Mn pseudopotentials   ali kazempoor
• [Pw_forum] parallel installation usinf mpich2 & intel fortran ??   Hashem Al-Yamani
• [Pw_forum] Done successfully ... but .... !!!   Hashem Al-Yamani
  • [Pw_forum] Done successfully ... but .... !!!   Huiqun Zhou
    • [Pw_forum] Done successfully ... but .... !!!   Paolo Giannozzi
• [Pw_forum] Problems with phonon calculation in one-dimensional chains   Jin Zhang
  • [Pw_forum] Problems with phonon calculation in one-dimensional chains   Nicola Marzari
• [Pw_forum] pwscf tests/examples question   mbaris at metu.edu.tr
  • [Pw_forum] pwscf tests/examples question   Paolo Giannozzi
• [Pw_forum] vc-relax newbie question   mbaris at metu.edu.tr
  • [Pw_forum] vc-relax newbie question   cesards at msi.umn.edu
  • [Pw_forum] vc-relax newbie question   Paolo Giannozzi
    • [Pw_forum] vc-relax newbie question   obm
      • [Pw_forum] Li pseudo   Hande Ustunel
      • [Pw_forum] Li pseudo   Axel Kohlmeyer
      • [Pw_forum] Li pseudo   Hande Ustunel
• [Pw_forum] Parallel PWSCF   Hashem Al-Yamani
  • [Pw_forum] Parallel PWSCF   Giovanni Cantele
• [Pw_forum] About xcrysden display   lan haiping
  • [Pw_forum] About xcrysden display   Lorenzo Paulatto
  • [Pw_forum] About xcrysden display   Axel Kohlmeyer
• [Pw_forum] a question about a calculation on a relatively large system   Paolo Giannozzi
  • [Pw_forum] a question about a calculation on a relatively large system   Peter Winey
• [Pw_forum] Effect of kernel parameters to calculation of larger systems   obm
  • [Pw_forum] Effect of kernel parameters to calculation of larger systems   Axel Kohlmeyer
• [Pw_forum] relaxation   Jess Kondor
  • [Pw_forum] relaxation   Axel Kohlmeyer
    • [Pw_forum] relaxation   Jess Kondor
      • [Pw_forum] relaxation   Axel Kohlmeyer
• [Pw_forum] pseudo potential   saman ghaderyan
  • [Pw_forum] pseudo potential   Axel Kohlmeyer
• [Pw_forum] error # list   shruba at gmail.com
  • [Pw_forum] error # list   degironc
  • [Pw_forum] error # list   Paolo Giannozzi
  • [Pw_forum] error # list   Eyvaz Isaev
• [Pw_forum] error in "vc-relax" calculation   shruba at gmail.com
• [Pw_forum] occupations   sasha
  • [Pw_forum] occupations   degironc
• [Pw_forum] (no subject)   clie
  • [Pw_forum] GeH4 electron-phonon issues   Miguel Martínez Canales
• [Pw_forum] the procedure of calculating the Raman tensor using the finite electric field method   li niu
  • [Pw_forum] the procedure of calculating the Raman tensor using the finite electric field method   Paolo Giannozzi
  • [Pw_forum] the procedure of calculating the Raman tensor using the finite electric field method   Serge Nakhmanson
    • [Pw_forum] the procedure of calculating the Raman tensor using the finite electric field method   Stefano Baroni
      • [Pw_forum] the procedure of calculating the Raman tensor using the finite electric field method   Serge Nakhmanson
• [Pw_forum] About phonon frequency in .dynG out-put file   vu ongphuong

Last message date: Thu May 31 23:17:00 CEST 2007
Archived on: Wed Feb 28 11:02:43 CET 2018

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