May 2008 Archives by author

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Starting: Thu May 1 00:52:19 CEST 2008
Ending: Sat May 31 09:09:23 CEST 2008
Messages: 207

• [Pw_forum] Definition of the projector function output in the "file_beta" file by LD1.   Wei Chen (weic at Princeton.EDU)
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• [Pw_forum] Starting magnetization   Álvaro Alves
• [Pw_forum] Starting magnetization   Álvaro Alves
• [Pw_forum] bug report in PWCOND   Dal Corso Andrea
• [Pw_forum] Relativistic semi-core potentials   Dal Corso Andrea
• [Pw_forum] Relativistic semi-core potentials   Dal Corso Andrea
• [Pw_forum] slow relaxing   Rudra Banerjee
• [Pw_forum] print time   Rudra Banerjee
• [Pw_forum] print time   Rudra Banerjee
• [Pw_forum] print time   Rudra Banerjee
• [Pw_forum] [OT] How to identify NFE states ?   Stefano Baroni
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Stefano Baroni
• [Pw_forum] Dear Professor   Stefano Baroni
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Stefano Baroni
• [Pw_forum] slow relaxing   Stefano Baroni
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Stefano Baroni
• [Pw_forum] How to fix "occupations (j) wrong"   Stefano Baroni
• [Pw_forum] Phonon DOS in noncubic materials   Stefano Baroni
• [Pw_forum] relaxation   Stefano Baroni
• [Pw_forum] Error in cppp.x   Ramiro Cardona
• [Pw_forum] Error in cppp.x   Ramiro Cardona
• [Pw_forum] Error in cppp.x   Ramiro Cardona
• [Pw_forum] QE run example 02   Charles Chen
• [Pw_forum] question on pseudopotential   Guoying Gao
• [Pw_forum] NC PP generation for GIPAW calc   Iann Gerber
• [Pw_forum] difference between nr1 and nrx1   Paolo Giannozzi
• [Pw_forum] comparing gaussian03 with pwscf   Paolo Giannozzi
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Paolo Giannozzi
• [Pw_forum] Pseudoptential for Nd   Paolo Giannozzi
• [Pw_forum] Charge Density   Paolo Giannozzi
• [Pw_forum] QE run example 02   Paolo Giannozzi
• [Pw_forum] acml - mkl   Paolo Giannozzi
• [Pw_forum] question on pseudopotential   Paolo Giannozzi
• [Pw_forum] eigenvalue ordering in bands structure calculation   Paolo Giannozzi
• [Pw_forum] print time   Paolo Giannozzi
• [Pw_forum] print time   Paolo Giannozzi
• [Pw_forum] print time   Paolo Giannozzi
• [Pw_forum] acml - mkl   Paolo Giannozzi
• [Pw_forum] what's the meaning of error in compiler of sun solaris?   Paolo Giannozzi
• [Pw_forum] problem with neb calculation   Paolo Giannozzi
• [Pw_forum] About nelec and tot_charge again   Paolo Giannozzi
• [Pw_forum] ??? what's the meaning of error in compiler of sun   Paolo Giannozzi
• [Pw_forum] modification of phonon programs   Paolo Giannozzi
• [Pw_forum] electron phonon coupling / cannot remap grid on k-point list error   Paolo Giannozzi
• [Pw_forum] Compile pwscf on HP Unix   Paolo Giannozzi
• [Pw_forum] ??? what's the meaning of error in compiler of sun solaris 9.0   Paolo Giannozzi
• [Pw_forum] charge density   Paolo Giannozzi
• [Pw_forum] Problem in compilation   Paolo Giannozzi
• [Pw_forum] Phonon DOS in noncubic materials   Paolo Giannozzi
• [Pw_forum] Error in cppp.x   Paolo Giannozzi
• [Pw_forum] About nelec and tot_charge again   Paolo Giannozzi
• [Pw_forum] Error in cppp.x   Paolo Giannozzi
• [Pw_forum] Error in cppp.x   Paolo Giannozzi
• [Pw_forum] Error in cppp.x   Paolo Giannozzi
• [Pw_forum] OpenMPI on mac   Paolo Giannozzi
• [Pw_forum] difference between nr1 and nrx1   Stefano de Gironcoli
• [Pw_forum] difference between nr1 and nrx1   Stefano de Gironcoli
• [Pw_forum] difference between nr1 and nrx1   Stefano de Gironcoli
• [Pw_forum] comparing gaussian03 with pwscf   Stefano de Gironcoli
• [Pw_forum] Au relaxation error   Stefano de Gironcoli
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Stefano de Gironcoli
• [Pw_forum] How to fix "occupations (j) wrong"   Stefano de Gironcoli
• [Pw_forum] Relativistic semi-core potentials   Stefano de Gironcoli
• [Pw_forum] relaxation   Stefano de Gironcoli
• [Pw_forum] disagreement of *.in and *.out file in VCSexample   Stefano de Gironcoli
• [Pw_forum] symmetry changed in vc-relaxation   Stefano de Gironcoli
• [Pw_forum] Charge Density   Paul M. Grant
• [Pw_forum] Problem in Ionic relaxation and MD runs   Holger Hesske
• [Pw_forum] measuring covalent vs. ionic nature of Li bonding in LiC6   Natalie Holzwarth
• [Pw_forum] modification of phonon programs   Eyvaz Isaev
• [Pw_forum] modification of phonon programs   Eyvaz Isaev
• [Pw_forum] modification of phonon programs   Eyvaz Isaev
• [Pw_forum] GIPAW compilation   Ary Junior
• [Pw_forum] comparing gaussian03 with pwscf   Axel Kohlmeyer
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Axel Kohlmeyer
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Axel Kohlmeyer
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Axel Kohlmeyer
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Axel Kohlmeyer
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Axel Kohlmeyer
• [Pw_forum] Au relaxation error   Axel Kohlmeyer
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Axel Kohlmeyer
• [Pw_forum] Pseudoptential for Nd   Axel Kohlmeyer
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Axel Kohlmeyer
• [Pw_forum] slow relaxing   Axel Kohlmeyer
• [Pw_forum] Charge Density   Axel Kohlmeyer
• [Pw_forum] acml - mkl   Axel Kohlmeyer
• [Pw_forum] Starting magnetization   Axel Kohlmeyer
• [Pw_forum] Starting magnetization   Axel Kohlmeyer
• [Pw_forum] acml-mkl   Axel Kohlmeyer
• [Pw_forum] acml - mkl   Axel Kohlmeyer
• [Pw_forum] problem with neb calculation   Axel Kohlmeyer
• [Pw_forum] Compile pwscf on HP Unix   Axel Kohlmeyer
• [Pw_forum] ??? what's the meaning of error in compiler of sun solaris 9.0   Axel Kohlmeyer
• [Pw_forum] charge density   Axel Kohlmeyer
• [Pw_forum] OpenMPI on mac   Axel Kohlmeyer
• [Pw_forum] GIPAW compilation   Axel Kohlmeyer
• [Pw_forum] GIPAW compilation   Axel Kohlmeyer
• [Pw_forum] symmetry changed in vc-relaxation   Axel Kohlmeyer
• [Pw_forum] Problem in Ionic relaxation and MD runs   Axel Kohlmeyer
• [Pw_forum] GIPAW compilation   Axel Kohlmeyer
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Konstantin Kudin
• [Pw_forum] modification of phonon programs   Konstantin Kudin
• [Pw_forum] Stress tensor from pw.x and cp.x   Lawrence Lee
• [Pw_forum] Stress tensor from pw.x and cp.x   Lawrence Lee
• [Pw_forum] GIPAW compilation   Amos Leffler
• [Pw_forum] QE run example 02   Dong-Hee Lim
• [Pw_forum] comparing gaussian03 with pwscf   O. Baris Malcioglu
• [Pw_forum] comparing gaussian03 with pwscf   O. Baris Malcioglu
• [Pw_forum] About PWgui-4.0 and XCrySDen   Madhura Marathe
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Nicola Marzari
• [Pw_forum] measuring covalent vs. ionic nature of Li bonding in LiC6   Nicola Marzari
• [Pw_forum] Question on Makov-Payne corrections   Nicola Marzari
• [Pw_forum] metal insulator interface simulation!   Nicola Marzari
• [Pw_forum] slow relaxing   Nicola Marzari
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Nicola Marzari
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Nicola Marzari
• [Pw_forum] Stress tensor from pw.x and cp.x   Nicola Marzari
• [Pw_forum] relaxation   Nicola Marzari
• [Pw_forum] Pseudoptential for Nd   Javier Antonio Montoya
• [Pw_forum] Pseudoptential for Nd   Javier Antonio Montoya
• [Pw_forum] Relativistic semi-core potentials   Fernando Nogueira
• [Pw_forum] Relativistic semi-core potentials   Fernando Nogueira
• [Pw_forum] DOS Units   Vidur Parkash
• [Pw_forum] Problem in compilation   Padmaja Patnaik
• [Pw_forum] ultra-soft psedudo potential   Lorenzo Paulatto
• [Pw_forum] Definition of the projector function output in the "file_beta" file by LD1.   Lorenzo Paulatto
• [Pw_forum] Charge Density   Lorenzo Paulatto
• [Pw_forum] acml - mkl   Lorenzo Paulatto
• [Pw_forum] Starting magnetization   Lorenzo Paulatto
• [Pw_forum] what's the meaning of error in compiler of sun solaris?   Lorenzo Paulatto
• [Pw_forum] problem with neb calculation   Lorenzo Paulatto
• [Pw_forum] GIPAW compilation   Lorenzo Paulatto
• [Pw_forum] About PWgui-4.0 and XCrySDen   Lorenzo Paulatto
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Eduardo Ariel Menendez Proupin
• [Pw_forum] comparing gaussian03 with pwscf   Eduardo Ariel Menendez Proupin
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Eduardo Ariel Menendez Proupin
• [Pw_forum] Fwd: openmp vs mpich performance with MKL 10.x   Eduardo Ariel Menendez Proupin
• [Pw_forum] comparing gaussian03 with pwscf   Eduardo Ariel Menendez Proupin
• [Pw_forum] openmp vs mpich performance with MKL 10.x   Eduardo Ariel Menendez Proupin
• [Pw_forum] acml - mkl   Eduardo Ariel Menendez Proupin
• [Pw_forum] acml-mkl   Eduardo Ariel Menendez Proupin
• [Pw_forum] problem changing the time step with pwscf   Eduardo Ariel Menendez Proupin
• [Pw_forum] OpenMPI on mac   Eduardo Ariel Menendez Proupin
• [Pw_forum] measuring covalent vs. ionic nature of Li bonding in LiC6   Yaser Rehem
• [Pw_forum] XCRYSDEN   S. K. S.
• [Pw_forum] nelup and neldw   S. K. S.
• [Pw_forum] not an easy system to treat   S. K. S.
• [Pw_forum] problem with neb calculation   Lucas Fernandez Seivane
• [Pw_forum] problem with neb calculation   Lucas Fernandez Seivane
• [Pw_forum] difference between nr1 and nrx1   Timo Thonhauser
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Hande Ustunel
• [Pw_forum] Why does the script of example As has two 4P rows and two 4Drows.   Hande Ustunel
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Roberto G. A. Veiga
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Roberto G. A. Veiga
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Roberto G. A. Veiga
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Roberto G. A. Veiga
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Roberto G. A. Veiga
• [Pw_forum] CFP: 3rd Annual CMM Workshop on QM/MM Simulations   CMM QM/MM Workshop
• [Pw_forum] disagreement of *.in and *.out file in VCSexample   Y.L. Xie
• [Pw_forum] disagreement of *.in and *.out file in VCSexample   Y.L. Xie
• [Pw_forum] Compile pwscf on HP Unix   Yu Xie
• [Pw_forum] Compile pwscf on HP Unix   Yu Xie
• [Pw_forum] About PWgui-4.0 and XCrySDen   Fan Yang
• [Pw_forum] comparing gaussian03 with pwscf   JAIME GUSTAVO RODRIGUEZ ZAVALA
• [Pw_forum] About PWgui-4.0 and XCrySDen   Huiqun Zhou
• [Pw_forum] polarization calculation in ferroelectrics   hania djani-ait aissa
• [Pw_forum] How to fix "occupations (j) wrong"   jiming an
• [Pw_forum] Why does the script of example As has two 4P rows and two 4Drows.   jiming an
• [Pw_forum] from ld1_setup : error # 2; mismatched all-electron/pseudo occupations   jiming an
• [Pw_forum] ultra-soft psedudo potential   alan chen
• [Pw_forum] charge density   alan chen
• [Pw_forum] [OT] How to identify NFE states ?   lan haiping
• [Pw_forum] DOS Units   lan haiping
• [Pw_forum] 转发： what's the meaning of error in compiler of sun solaris?   lan haiping
• [Pw_forum] Phonon DOS in noncubic materials   rprasad at iitk.ac.in
• [Pw_forum] relaxation   ali kazempoor
• [Pw_forum] metal insulator interface simulation!   Mohamed.Majdoub at mail.uh.edu
• [Pw_forum] Au relaxation error   Mohamed.Majdoub at mail.uh.edu
• [Pw_forum] Au relaxation error   Mohamed.Majdoub at mail.uh.edu
• [Pw_forum] (no subject)   hamad mohamed
• [Pw_forum] electron phonon coupling / cannot remap grid on k-point list error   hamad mohamed
• [Pw_forum] Phonon DOS in noncubic materials   Rajendra Prasad fc phy
• [Pw_forum] eigenvalue ordering in bands structure calculation   zx3 at rice.edu
• [Pw_forum] bug report in PWCOND   zx3 at rice.edu
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   Adriano.Mosca.Conte at roma2.infn.it
• [Pw_forum] nelup and neldw   Adriano.Mosca.Conte at roma2.infn.it
• [Pw_forum] acml - mkl   ambavale sagar
• [Pw_forum] acml-mkl   ambavale sagar
• [Pw_forum] acml-mkl   ambavale sagar
• [Pw_forum] acml-mkl   ambavale sagar
• [Pw_forum] acml-mkl   ambavale sagar
• [Pw_forum] Question on Makov-Payne corrections   yinwanjian
• [Pw_forum] About nelec and tot_charge again   陳 少華
• [Pw_forum] About nelec and tot_charge again   陳 少華
• [Pw_forum] what's the meaning of error in compiler of sun solaris?   针叶 朱
• [Pw_forum] 转发： what's the meaning of error in compiler of sun solaris?   针叶 朱
• [Pw_forum] ??? what's the meaning of error in compiler of sun   针叶 朱
• [Pw_forum] ??? what's the meaning of error in compiler of sun   针叶 朱
• [Pw_forum] ??? what's the meaning of error in compiler of sun solaris 9.0   针叶 朱
• [Pw_forum] disagreement of *.in and *.out file in VCSexample   程迎春
• [Pw_forum] disagreement of *.in and *.out file in VCSexample   程迎春
• [Pw_forum] symmetry changed in vc-relaxation   程迎春

Last message date: Sat May 31 09:09:23 CEST 2008
Archived on: Thu Aug 14 08:40:04 CEST 2008

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