June 2007 Archives by thread

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Starting: Fri Jun 1 06:31:08 CEST 2007
Ending: Sat Jun 30 06:08:26 CEST 2007
Messages: 179

• [Pw_forum] need help to read output   shruba at gmail.com
  • [Pw_forum] need help to read output   lan haiping
    • SIGSEGV with intel compiler (Was: Re [Pw_forum] example01 errors;....)   Paolo Giannozzi
• [Pw_forum] error message   Cyrille Barreteau
  • [Pw_forum] error message   Paolo Giannozzi
  • [Pw_forum] error message   Cyrille Barreteau
  • [Pw_forum] error message   Paolo Giannozzi
  • [Pw_forum] error message   Cyrille Barreteau
  • [Pw_forum] LDA Ultrasoft pseudopotential for Mg   stewart at cnf.cornell.edu
  • [Pw_forum] LDA Ultrasoft pseudopotential for Mg   Eyvaz Isaev
  • [Pw_forum] LDA Ultrasoft pseudopotential for Mg   stewart at cnf.cornell.edu
  • [Pw_forum] LDA Ultrasoft pseudopotential for Mg   Jonathan Breeze
• [Pw_forum] error message...Bis   Cyrille Barreteau
• [Pw_forum] MPI error and wf_collect   Cyrille Barreteau
  • [Pw_forum] MPI error and wf_collect   Paolo Giannozzi
  • [Pw_forum] MPI error and wf_collect   Cyrille Barreteau
  • [Pw_forum] MPI error and wf_collect   Paolo Giannozzi
  • [Pw_forum] MPI error and wf_collect   BARRETEAU Cyrille
• [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   Serge Nakhmanson
• [Pw_forum] Roberto Car Symposium   Nicola Marzari
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1497 - 4 msgs   clie
• [Pw_forum] big atomic forces   Jess Kondor
  • [Pw_forum] big atomic forces   Stefano Baroni
  • [Pw_forum] big atomic forces   Stefano Baroni
  • [Pw_forum] big atomic forces   Stefano Baroni
  • [Pw_forum] big atomic forces   Xunlei Ding
    • [Pw_forum] big atomic forces   Jess Kondor
• [Pw_forum] problem about MPI   Bo Peng
  • [Pw_forum] problem about MPI   mbaris at metu.edu.tr
    • [Pw_forum] problem about MPI   Stefano Baroni
• [Pw_forum] Re: problem about MPI   Bo Peng
  • [Pw_forum] About phonon frequency in .dynG out-put file   Paolo Giannozzi
• [Pw_forum] Fermi energy in 'scf' and 'nscf'   Jess Kondor
  • [Pw_forum] Fermi energy in 'scf' and 'nscf'   Paolo Giannozzi
  • [Pw_forum] Fermi energy in 'scf' and 'nscf'   Jess Kondor
  • [Pw_forum] Fermi energy in 'scf' and 'nscf'   Nicholas E. Singh-Miller
• [Pw_forum] Reference about Total Energy Method used in PWscf   ruizhi zhang
  • [Pw_forum] Reference about Total Energy Method used in PWscf   lan haiping
    • [Pw_forum] Reference about Total Energy Method used in PWscf   Paolo Giannozzi
• [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   xu yuehua
  • [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   Xunlei Ding
    • [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   xu yuehua
      • [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   Xunlei Ding
      • [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   xu yuehua
      • [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   Paolo Giannozzi
      • [Pw_forum] PHONON errors varies when i use 6 or 2 cpu?   Xunlei Ding
      • [Pw_forum] error in "vc-relax" calculation   Paolo Giannozzi
• [Pw_forum] structural relaxation for a M-M-M system   Sen
  • [Pw_forum] structural relaxation for a M-M-M system   Xunlei Ding
  • [Pw_forum] structural relaxation for a M-M-M system   Nicola Marzari
• [Pw_forum] ask question   wang yanchao
  • [Pw_forum] ask question   lan haiping
    • [Pw_forum] ask question   Paolo Giannozzi
  • [Pw_forum] discrepancy in molecular binding energy between pwscf and localized basis set program   Garold Murdachaew
    • [Pw_forum] discrepancy in molecular binding energy between pwscf and localized basis set program   Axel Kohlmeyer
    • [Pw_forum] discrepancy in molecular binding energy between pwscf and localized basis set program   Paolo Giannozzi
    • [Pw_forum] three times nothing :-)   BARRETEAU Cyrille
  • [Pw_forum] discrepancy in molecular binding energy between pwscf and localized basis set program   Garold Murdachaew
• [Pw_forum] Serious problem in total energy calculation ?   "이은철"
  • [Pw_forum] Serious problem in total energy calculation ?   Paolo Giannozzi
  • [Pw_forum] Serious problem in total energy calculation ?   Eun-Cheol Lee
  • [Pw_forum] Serious problem in total energy calculation ?   Paolo Giannozzi
• [Pw_forum] error msg -previous MD history got lost   shruba at gmail.com
  • [Pw_forum] makedeps.sh problems   Colin John McMurtrie
  • [Pw_forum] makedeps.sh problems   Paolo Giannozzi
  • [Pw_forum] phonons of bcc iron bulk in parallel   Andrea Floris
    • [Pw_forum] phonons of bcc iron bulk in parallel   Paolo Giannozzi
    • [Pw_forum] phonons of bcc iron bulk in parallel   Andrea Floris
    • [Pw_forum] phonons of bcc iron bulk in parallel   Paolo Giannozzi
• [Pw_forum] a question   Jess Kondor
  • [Pw_forum] a question   Paolo Giannozzi
  • [Pw_forum] a question   Jess Kondor
  • [Pw_forum] a question   degironc
• [Pw_forum] lda+u low spin question   sasha
• [Pw_forum] Re:about the displacive instabilities   li yan
  • [Pw_forum] Re:about the displacive instabilities   Stefano Baroni
• [Pw_forum] ultra soft psps (ld1 vs uspp)   Lazaro Calderin
• [Pw_forum] a question   degironc
  • [Pw_forum] phonon calculation, gamma point   stirling andras
    • [Pw_forum] phonon calculation, gamma point   Dal Corso Andrea
    • [Pw_forum] phonon calculation, gamma point   stirling andras
    • [Pw_forum] phonon calculation, gamma point   Dal Corso Andrea
    • [Pw_forum] phonon calculation, gamma point   stirling andras
• [Pw_forum] the difference between the linear response method and finite differences of the atomic forces   li niu
  • [Pw_forum] the difference between the linear response method and finite differences of the atomic forces   degironc
• [Pw_forum] nscf error   Hashem Al-Yamani
  • [Pw_forum] nscf error   Paolo Giannozzi
  • [Pw_forum] about the number of bands   Alcantara Ortigoza, Marisol
  • [Pw_forum] about the number of bands   Paolo Giannozzi
• [Pw_forum] Problem with vc -relax   shruba at gmail.com
• [Pw_forum] Postdoctoral position available   degironc
• [Pw_forum] The calcualtion of static dielectric constant using espresso!   Adrain Zhou
  • [Pw_forum] The calcualtion of static dielectric constant using espresso!   Paolo Giannozzi
  • [Pw_forum] 回复： Re: [Pw_forum] The calcualtion of static dielectric constant using espresso!   Adrain Zhou
  • [Pw_forum] The calcualtion of static dielectric constant using espresso!   Paolo Giannozzi
• [Pw_forum] H 0.75 pseudopotential   Marcello Rosini
  • [Pw_forum] H 0.75 pseudopotential   Paolo Giannozzi
  • [Pw_forum] H 0.75 pseudopotential   陳 少華
  • [Pw_forum] H 0.75 pseudopotential   Paolo Giannozzi
• [Pw_forum] Re: Problem with vc -relax   cesards at msi.umn.edu
  • [Pw_forum] Re: Problem with vc -relax   shruba at gmail.com
• [Pw_forum] Memory allocation in linux using mpirun   Vivian McPhail
  • [Pw_forum] Memory allocation in linux using mpirun   Axel Kohlmeyer
• [Pw_forum] Wrong Static dielectric constant for TiO2   Adrain Zhou
• [Pw_forum] _intel_cpu_indicator error   W. YU
  • [Pw_forum] _intel_cpu_indicator error   Lorenzo Paulatto
• [Pw_forum] H 0.75 pseudopotential   Eduardo Ariel Menendez P
  • [Pw_forum] signature   Stefano Baroni
• [Pw_forum] phonon question :how to get improved frequency ? lo-to can change the relative strength of IR peak ?   xu yuehua
• [Pw_forum] SIGSEGV (was Re:[Pw-forum] example01 errors   Helen
  • [Pw_forum] SIGSEGV (was Re:[Pw-forum] example01 errors   Paolo Giannozzi
  • [Pw_forum] SIGSEGV (was Re:[Pw-forum] example01 errors   Helen
  • [Pw_forum] SIGSEGV (was Re:[Pw-forum] example01 errors   Paolo Giannozzi
• [Pw_forum] How to convert CPMD pseudopotential to UPF format   Clark Lee
  • [Pw_forum] How to convert CPMD pseudopotential to UPF format   Paolo Giannozzi
  • [Pw_forum] How to convert CPMD pseudopotential to UPF format   Axel Kohlmeyer
• [Pw_forum] how to add the asr="one-dim''   xu yuehua
  • [Pw_forum] how to add the asr="one-dim''   Paolo Giannozzi
• [Pw_forum] vc -relax vs single point   shruba at gmail.com
  • [Pw_forum] vc -relax vs single point   Paolo Giannozzi
  • [Pw_forum] vc -relax vs single point   shruba at gmail.com
  • [Pw_forum] help on q2r.x error!   mashangyi
    • [Pw_forum] help on q2r.x error!   Paolo Giannozzi
    • [Pw_forum] help on q2r.x error!   Eyvaz Isaev
• [Pw_forum] Problem of pseudopotential file   Clark Lee
  • [Pw_forum] Problem of pseudopotential file   Paolo Giannozzi
  • [Pw_forum] Problem of pseudopotential file   Clark Lee
  • [Pw_forum] Problem of pseudopotential file   stewart at cnf.cornell.edu
  • [Pw_forum] Problem of pseudopotential file   Paolo Giannozzi
  • [Pw_forum] Problem of pseudopotential file   Axel Kohlmeyer
  • [Pw_forum] help on q2r.x error!   shangyi
• [Pw_forum] max time   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] max time   Axel Kohlmeyer
• [Pw_forum] max time   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] max time   Eyvaz Isaev
• [Pw_forum] spin dope   Srijan Kumar Saha
  • [Pw_forum] spin dope   Paolo Giannozzi
  • [Pw_forum] spin dope   Srijan Kumar Saha
  • [Pw_forum] spin dope   Srijan Kumar Saha
  • [Pw_forum] spin dope   Paolo Giannozzi
• [Pw_forum] problem with uspp2upf tools   shruba at gmail.com
  • [Pw_forum] problem with uspp2upf tools   Paolo Giannozzi
  • [Pw_forum] problem with uspp2upf tools   shruba at gmail.com
  • [Pw_forum] problem with uspp2upf tools   Dal Corso Andrea
  • [Pw_forum] problem with uspp2upf tools   Axel Kohlmeyer
• [Pw_forum] about decomoposition of the atomic contribution to the vibrational density of states   li niu
• [Pw_forum] symmetry identification   W. YU
  • [Pw_forum] symmetry identification   Stefano Baroni
• [Pw_forum] max time   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] max time   Axel Kohlmeyer
• [Pw_forum] Pseudopotential for Nd   Nkrumah-Buandoh George_Kofi
  • [Pw_forum] Pseudopotential for Nd   Paolo Giannozzi
• [Pw_forum] questions about the phonon calculation   Jia-An Yan
• [Pw_forum] ultrasoft pseudopotential for Mn   Jess Kondor
  • [Pw_forum] ultrasoft pseudopotential for Mn   Paolo Giannozzi
  • [Pw_forum] ultrasoft pseudopotential for Mn   Jess Kondor
  • [Pw_forum] ultrasoft pseudopotential for Mn   Paolo Giannozzi
  • [Pw_forum] ultrasoft pseudopotential for Mn   Jess Kondor
  • [Pw_forum] **some confusion about spin related knobs**   吴 华华
• [Pw_forum] Example21 Problem   Amos Leffler
  • [Pw_forum] Example21 Problem   Axel Kohlmeyer
    • [Pw_forum] Example21 Problem   Amos Leffler
    • [Pw_forum] Example21 Problem   Axel Kohlmeyer
    • [Pw_forum] Example21 Problem   Amos Leffler
    • [Pw_forum] Example21 Problem   Eyvaz Isaev
    • [Pw_forum] Example21 Problem   Axel Kohlmeyer
    • [Pw_forum] Example21 Problem   Eyvaz Isaev
    • [Pw_forum] Example21 Problem   Axel Kohlmeyer
• [Pw_forum] max_time   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] max_time   Axel Kohlmeyer
• [Pw_forum] ack question   wang yanchao
  • [Pw_forum] ack question   Stefano Baroni
  • [Pw_forum] ack question   Eyvaz Isaev
• [Pw_forum] DOS projections with PWscf   Leandro Moreira de Campos Pinto
  • [Pw_forum] DOS projections with PWscf   Eyvaz Isaev
    • [Pw_forum] Want test crash   mashaojie163
• [Pw_forum] vc-relax:i want to relax cell only along one direction ,such c   xu yuehua
  • [Pw_forum] vc-relax:i want to relax cell only along one direction ,such c   Axel Kohlmeyer

Last message date: Sat Jun 30 06:08:26 CEST 2007
Archived on: Tue Jul 10 14:24:22 CEST 2007

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