July 2007 Archives by author

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Starting: Sun Jul 1 03:36:29 CEST 2007
Ending: Tue Jul 31 23:14:34 CEST 2007
Messages: 184

• [Pw_forum] LD1 - Choosing a 3D rcutus   Michael Vargas (michaelv at Princeton.EDU)
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• [Pw_forum] Error 61 in rdiaghg   Marcos Verissimo Alves
• [Pw_forum] Please disregard my previous message...   Marcos Verissimo Alves
• [Pw_forum] Error 61 in rdiaghg   Marcos Verissimo Alves
• [Pw_forum] Strange behavior of phonon calculation   Dal Corso Andrea
• [Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf   Dal Corso Andrea
• [Pw_forum] relax question   Stefano Baroni
• [Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf   Stefano Baroni
• [Pw_forum] spin-orbit references   Stefano Baroni
• [Pw_forum] How to compare total energy calculation results with references?   Stefano Baroni
• [Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf   Stefano Baroni
• [Pw_forum] A bug?   Lazaro Calderin
• [Pw_forum] compilation of bfgs_modules.f90 on Sun   Davide Ceresoli
• [Pw_forum] Normalization of the atomic wave functions   Matteo Cococcioni
• [Pw_forum] RE : spin-orbit references   BARRETEAU Cyrille
• [Pw_forum] relax question   Xunlei Ding
• [Pw_forum] pseudopotential   Xunlei Ding
• [Pw_forum] Want test crash   Andrea Ferretti
• [Pw_forum] Want test crash   Andrea Ferretti
• [Pw_forum] Want test crash   Andrea Ferretti
• [Pw_forum] Which Fermi level is right?   Nkrumah-Buandoh George_Kofi
• [Pw_forum] modified Hartree exchange potential   Paolo Giannozzi
• [Pw_forum] (still) inconsistent pp.x and projwfc.x ...   Paolo Giannozzi
• [Pw_forum] Strange behavior of phonon calculation   Paolo Giannozzi
• [Pw_forum] A bug?   Paolo Giannozzi
• [Pw_forum] k_point generation in ph.x for a grid   Paolo Giannozzi
• [Pw_forum] pseudopotentical from dacapo   Paolo Giannozzi
• [Pw_forum] Pseudopotentials for TPSS   Paolo Giannozzi
• [Pw_forum] k_point generation in ph.x for a grid   Paolo Giannozzi
• [Pw_forum] k_point generation in ph.x for a grid‎   Paolo Giannozzi
• [Pw_forum] problem in parallel execution   Paolo Giannozzi
• [Pw_forum] Which Fermi level is right?   Paolo Giannozzi
• [Pw_forum] can't minimize electrons by cp.x in some case   Paolo Giannozzi
• [Pw_forum] problem with parallel mode   Paolo Giannozzi
• [Pw_forum] No symmetry! output file message   Paolo Giannozzi
• [Pw_forum] davcio #10 error for projwfc.x   Paolo Giannozzi
• [Pw_forum] No symmetry! output file message   Paolo Giannozzi
• [Pw_forum] problem with parallel ph.x   Paolo Giannozzi
• [Pw_forum] compilation of bfgs_modules.f90 on Sun   Paolo Giannozzi
• [Pw_forum] bfgs error   Paolo Giannozzi
• [Pw_forum] charge density difference   Paolo Giannozzi
• [Pw_forum] problem with parallel ph.x   Paolo Giannozzi
• [Pw_forum] relax question   Stefano de Gironcoli
• [Pw_forum] Normalization of the atomic wave functions   Henning Glawe
• [Pw_forum] Normalization of the atomic wave functions   Henning Glawe
• [Pw_forum] Normalization of the atomic wave functions   Henning Glawe
• [Pw_forum] modified Hartree exchange potential   Helen
• [Pw_forum] modified explicit exchange potential   Helen
• [Pw_forum] modified explicit exchange potential   Helen
• [Pw_forum] modified explicit exchange potential   Helen
• [Pw_forum] Fw: modified explicit exchange potential   Helen
• [Pw_forum] (still) inconsistent pp.x and projwfc.x ...   Conor Hogan
• [Pw_forum] about the pseudopotential of Iridium (Ir)   Chaohao Hu
• [Pw_forum] Error 61 in rdiaghg   Eyvaz Isaev
• [Pw_forum] Error 61 in rdiaghg   Eyvaz Isaev
• [Pw_forum] phonon   Eyvaz Isaev
• [Pw_forum] phonon   Eyvaz Isaev
• [Pw_forum] Pseudopotentials for TPSS   Yosuke Kanai
• [Pw_forum] Example21 Problem   Axel Kohlmeyer
• [Pw_forum] Error 61 in rdiaghg   Axel Kohlmeyer
• [Pw_forum] Strange behavior of scf calculation under finite-field   Axel Kohlmeyer
• [Pw_forum] Compilation problems   Axel Kohlmeyer
• [Pw_forum] problem with parallel calculation   Axel Kohlmeyer
• [Pw_forum] Charge difference query   Axel Kohlmeyer
• [Pw_forum] decomoposition of the atomic contribution to the vibrational spectrum   Axel Kohlmeyer
• [Pw_forum] problem with parallel mode   Axel Kohlmeyer
• [Pw_forum] [pw_forum]Problem with pseudopotential generation: the case of Po   Axel Kohlmeyer
• [Pw_forum] which can be deleted in scratch ?   Axel Kohlmeyer
• [Pw_forum] charge density difference   Axel Kohlmeyer
• [Pw_forum] bfgs error   Axel Kohlmeyer
• [Pw_forum] problem with parallel ph.x   Axel Kohlmeyer
• [Pw_forum] decomoposition of the atomic contribution to the vibrational spectrum   Konstantin Kudin
• [Pw_forum] On Workfunction   Clark Lee
• [Pw_forum] Example21 Problem   Amos Leffler
• [Pw_forum] compilation of bfgs_modules.f90 on Sun   Sergey Lisenkov
• [Pw_forum] How to compare total energy calculation results with references?   Tengfei Luo
• [Pw_forum] relax question   Nicola Marzari
• [Pw_forum] Which Fermi level is right?   Nicola Marzari
• [Pw_forum] can't minimize electrons by cp.x in some case   Nicola Marzari
• [Pw_forum] can't minimize electrons by cp.x in some case   Nicola Marzari
• [Pw_forum] Pseudopotentials for TPSS   Sergey Maximoff
• [Pw_forum] Pseudopotentials for TPSS   Sergey N. Maximoff
• [Pw_forum] electrical conductivity of metallic surfaces   Eduardo Ariel Menendez P
• [Pw_forum] modified Hartree exchange potential   Lorenzo Paulatto
• [Pw_forum] problem in parallel execution   Mahmoud Payami
• [Pw_forum] problem in parallel execution   Mahmoud Payami
• [Pw_forum] Compilation problems   Leandro Moreira de Campos Pinto
• [Pw_forum] spin-orbit references   Nichols A. Romero
• [Pw_forum] Strange behavior of phonon calculation   Srijan Kumar Saha
• [Pw_forum] Strange behavior of phonon calculation   Srijan Kumar Saha
• [Pw_forum] problem with parallel calculation   Ezad Shojaee
• [Pw_forum] k_point generation in ph.x for a grid   Ezad Shojaee
• [Pw_forum] k_point generation in ph.x for a grid   Ezad Shojaee
• [Pw_forum] k_point generation in ph.x for a grid‎   Ezad Shojaee
• [Pw_forum] problem with parallel mode   Ezad Shojaee
• [Pw_forum] problem with parallel mode   Ezad Shojaee
• [Pw_forum] problem with parallel ph.x   Ezad Shojaee
• [Pw_forum] problem with parallel ph.x   Ezad Shojaee
• [Pw_forum] compilation of bfgs_modules.f90 on Sun   Antonio Tilocca
• [Pw_forum] On Workfunction   Hande Ustunel
• [Pw_forum] Fermi surface nesting function   Shanavas K. V.
• [Pw_forum] Fermi surface nesting function   Shanavas K. V.
• [Pw_forum] Charge difference query   Kenneth Wong
• [Pw_forum] davcio #10 error for projwfc.x   Kenneth Wong
• [Pw_forum] relax question   Ding Xunlei
• [Pw_forum] can't minimize electrons by cp.x in some case   Liping YU
• [Pw_forum] can't minimize electrons by cp.x in some case   Liping YU
• [Pw_forum] [pw_forum]Problem with pseudopotential generation: the case of Po   Zhiping Yin
• [Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf   Zhiping Yin
• [Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf   Zhiping Yin
• [Pw_forum] decomoposition of the atomic contribution to thevibrational spectrum   Huiqun Zhou
• [Pw_forum] No symmetry! output file message   nizar aouni
• [Pw_forum] No symmetry! output file message   nizar aouni
• [Pw_forum] erro in virtual.x for VCA 2 ( can I use splinelib.f90?)   degironc
• [Pw_forum] A bug?   degironc
• [Pw_forum] modified explicit exchange potential   degironc
• [Pw_forum] bfgs crash for relax calculation under finite-electric fieldcaclulation   degironc
• [Pw_forum] Pseudopotentials for TPSS   degironc
• [Pw_forum] pseudopotential   degironc
• [Pw_forum] modified explicit exchange potential   degironc
• [Pw_forum] Normalization of the atomic wave functions   degironc
• [Pw_forum] erro in virtual.x for VCA   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] erro in virtual.x for VCA 2 ( can I use splinelib.f90?)   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] phonon   saman ghaderyan
• [Pw_forum] phonon   saman ghaderyan
• [Pw_forum] pseudopotential   saman ghaderyan
• [Pw_forum] pseudopotential   saman ghaderyan
• [Pw_forum] pseudopotential   saman ghaderyan
• [Pw_forum] pseudopotentical from dacapo   shruba at gmail.com
• [Pw_forum] Strange behavior of scf calculation under finite-field   lan haiping
• [Pw_forum] Strange behavior of scf calculation under finite-field   lan haiping
• [Pw_forum] bfgs crash for relax calculation under finite-electric fieldcaclulation   lan haiping
• [Pw_forum] bfgs crash for relax calculation under finite-electric fieldcaclulation   lan haiping
• [Pw_forum] convergence problem of graphene system under homogeneous finite-field.   lan haiping
• [Pw_forum] relax question   lan haiping
• [Pw_forum] relax question   lan haiping
• [Pw_forum] Which Fermi level is right?   lan haiping
• [Pw_forum] Which Fermi level is right?   lan haiping
• [Pw_forum] Want test crash   mashaojie163
• [Pw_forum] Want test crash   mashaojie163
• [Pw_forum] problem with parallel calculation   mbaris at metu.edu.tr
• [Pw_forum] decomoposition of the atomic contribution to the vibrational spectrum   li niu
• [Pw_forum] decomoposition of the atomic contribution to the vibrational spectrum   li niu
• [Pw_forum] decomoposition of the atomic contribution to the vibrational spectrum   li niu
• [Pw_forum] bfgs error   brsahu at physics.utexas.edu
• [Pw_forum] 回复： Re: [Pw_forum] Re:about the displacive instabilities   li yan
• [Pw_forum] relax question   xu yuehua
• [Pw_forum] relax question   xu yuehua
• [Pw_forum] relax question   xu yuehua
• [Pw_forum] relax question   xu yuehua
• [Pw_forum] which can be deleted in scratch ?   xu yuehua
• [Pw_forum] charge density difference   ÇÍÓÇä ÚÑíÞÇÊ
• [Pw_forum] charge density difference   ÇÍÓÇä ÚÑíÞÇÊ
• [Pw_forum] Does anyone have old format N.pz-vbc NCPP ?   陳 少華

Last message date: Tue Jul 31 23:14:34 CEST 2007
Archived on: Tue Jul 31 23:14:38 CEST 2007

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