October 2007 Archives by date

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Starting: Mon Oct 1 06:12:41 CEST 2007
Ending: Wed Oct 31 16:06:26 CET 2007
Messages: 227

• [Pw_forum] benchmark calculations for parallel PWSCF   Nicola Marzari
• [Pw_forum] Intermediate images in NEB   Daniele Passerone
• [Pw_forum] Intermediate images in NEB   Axel Kohlmeyer
• [Pw_forum] Intermediate images in NEB   Tone Kokalj
• [Pw_forum] benchmark calculations for parallel PWSCF   Paolo Giannozzi
• [Pw_forum] Intermediate images in NEB   Daniele Passerone
• [Pw_forum] error in the q2r.out   Paolo Giannozzi
• [Pw_forum] about metal and molecular dynamics   Paolo Giannozzi
• [Pw_forum] error in the calculation of mpirun ph.x.   Paolo Giannozzi
• [Pw_forum] Internal MPI error   alan chen
• [Pw_forum] Intermediate images in NEB   Guido Fratesi
• [Pw_forum] Internal MPI error   Paolo Giannozzi
• [Pw_forum] Another SCF convergence problem   Vidur Parkash
• [Pw_forum] Another SCF convergence problem   Paolo Giannozzi
• [Pw_forum] Another SCF convergence problem   Vidur Parkash
• [Pw_forum] How to get the phonon frequency logarithmic average   陳 少華
• [Pw_forum] General pseudopotential generation questions (using ld1)   Tyler Grassman
• [Pw_forum] Another SCF convergence problem   Matteo Cococcioni
• [Pw_forum] Internal MPI error   Axel Kohlmeyer
• [Pw_forum] General pseudopotential generation questions (using ld1)   Paolo Giannozzi
• [Pw_forum] Another SCF convergence problem   Stefano de Gironcoli
• [Pw_forum] Another SCF convergence problem   Paolo Giannozzi
• [Pw_forum] Another SCF convergence problem   Eyvaz Isaev
• [Pw_forum] A strange problem during testing the examples   Chaohao Hu
• [Pw_forum] General pseudopotential generation questions (using ld1)   Paolo Giannozzi
• [Pw_forum] General pseudopotential generation questions (using ld1)   Paolo Giannozzi
• [Pw_forum] Another SCF convergence problem   Vidur Parkash
• [Pw_forum] General pseudopotential generation questions (using ld1)   Tyler Grassman
• [Pw_forum] A strange problem during testing the examples   Paolo Giannozzi
• [Pw_forum] Another SCF convergence problem   Eyvaz Isaev
• [Pw_forum] Another SCF convergence problem   Vidur Parkash
• [Pw_forum] Another SCF convergence problem   Axel Kohlmeyer
• [Pw_forum] Questions regarding EXX implementation   Tyler Grassman
• [Pw_forum] Another SCF convergence problem   Stefano Baroni
• [Pw_forum] Questions regarding EXX implementation   Paolo Giannozzi
• [Pw_forum] Questions regarding EXX implementation -- follow-up   Tyler Grassman
• [Pw_forum] (no subject)   yueqin at mail.ustc.edu.cn
• [Pw_forum] Questions regarding EXX implementation -- follow-up   Lorenzo Paulatto
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   Giovanni Cantele
• [Pw_forum] problem compiling espresso with cmkl libraries   halim said
• [Pw_forum] problem compiling espresso with cmkl libraries   Axel Kohlmeyer
• [Pw_forum] Seeking positive Laplacians in carbon nanotubes   Steven Kirk
• [Pw_forum] Seeking positive Laplacians in carbon nanotubes   Nicola Marzari
• [Pw_forum] Seeking positive Laplacians in carbon nanotubes   William Yim
• [Pw_forum] Compilation error on IBM Power4 P690 under AIX 5.2   Maria K Chan
• [Pw_forum] Compilation error on IBM Power4 P690 under AIX 5.2   Axel Kohlmeyer
• [Pw_forum] Compilation error on IBM Power4 P690 under AIX 5.2   Maria K Chan
• [Pw_forum] How to get the phonon frequency logarithmic average   yueqin at mail.ustc.edu.cn
• [Pw_forum] RE : Re: problem compiling espresso with cmkl libraries   halim said
• [Pw_forum] How to get the phonon frequency logarithmic average   Paolo Giannozzi
• [Pw_forum] RE : Re: problem compiling espresso with cmkl libraries   Paolo Giannozzi
• [Pw_forum] RE : Re: problem compiling espresso with cmkl libraries   Axel Kohlmeyer
• [Pw_forum] Problem arising in fc_10.0.023+mkl_9.1.023   Mahmoud Payami
• [Pw_forum] Does PWSCF have a bug when optimizing the structure in one electric field?   xqhu at duke.edu
• [Pw_forum] Does PWSCF have a bug when optimizing the structure in one electric field?   Giovanni Cantele
• [Pw_forum] problem in compiling cp.x in espresso   Patrick GANSTER
• [Pw_forum] problem in compiling cp.x in espresso   Axel Kohlmeyer
• [Pw_forum] error   nazari at iasbs.ac.ir
• [Pw_forum] Different behavior in relax tasks   Marino Vetuschi Zuccolini
• [Pw_forum] error   Heather Whitley
• [Pw_forum] Different behavior in relax tasks (Marino Vetuschi Zuccolini)   Cesar R.S. da Silva
• [Pw_forum] error -intel-fast-memset   nazari at iasbs.ac.ir
• [Pw_forum] Different behavior in relax tasks (Marino Vetuschi Zuccolini)   Marino Vetuschi Zuccolini
• [Pw_forum] Problem arising in fc_10.0.023+mkl_9.1.023   Paolo Giannozzi
• [Pw_forum] Does PWSCF have a bug when optimizing the structure in one electric field?   Paolo Giannozzi
• [Pw_forum] error   Paolo Giannozzi
• [Pw_forum] error -intel-fast-memset   Paolo Giannozzi
• [Pw_forum] Different behavior in relax tasks (Marino Vetuschi Zuccolini)   Davide Ceresoli
• [Pw_forum] error   Heather Whitley
• [Pw_forum] Problem arising in fc_10.0.023+mkl_9.1.023   Mahmoud Payami Shabestari
• [Pw_forum] error   Paolo Giannozzi
• [Pw_forum] error   Heather Whitley
• [Pw_forum] problem on k points and ecutwfc test   Bo Peng
• [Pw_forum] problem on k points and ecutwfc test   Bo Peng
• [Pw_forum] Different behavior in relax tasks (Marino Vetuschi Zuccolini)   Marino Vetuschi Zuccolini
• [Pw_forum] error   Paolo Giannozzi
• [Pw_forum] Does PWSCF have a bug when optimizing the structure in electric field   xqhu at duke.edu
• [Pw_forum] Problems with example05   Jörg Saßmannshausen
• [Pw_forum] Problems with example05   Paolo Giannozzi
• [Pw_forum] error -intel-fast-memset   nazari at iasbs.ac.ir
• [Pw_forum] error -intel-fast-memset   Paolo Giannozzi
• [Pw_forum] Putting band structure symbols on the x-axis   Hashem Al-Yamani
• [Pw_forum] Putting band structure symbols on the x-axis   Eyvaz Isaev
• [Pw_forum] Putting band structure symbols on the x-axis   mbaris at metu.edu.tr
• [Pw_forum] Ge band-gap   Helen
• [Pw_forum] Putting band structure symbols on the x-axis   Nicola Marzari
• [Pw_forum] Ge band-gap   Paolo Giannozzi
• [Pw_forum] problem with defining zigzag nanotube   zahra sadat naghavi
• [Pw_forum] Ask question?   wang yanchao
• [Pw_forum] problem with defining zigzag nanotube   Paolo Giannozzi
• [Pw_forum] Ask question?   Paolo Giannozzi
• [Pw_forum] DFT+U: about how to get U   Chao Cao
• [Pw_forum] DFT+U: about how to get U   Matteo Cococcioni
• [Pw_forum] DFT+U: about how to get U   Chao Cao
• [Pw_forum] Relaxation of Na(100)   naser zare
• [Pw_forum] Relaxation of Na(100)   Stefano de Gironcoli
• [Pw_forum] DFT+U: about how to get U   Matteo Cococcioni
• [Pw_forum] DFT+U: about how to get U   Agostino Migliore
• [Pw_forum] how to get U in DFT+Hubbard U   Agostino Migliore
• [Pw_forum] how to get U in DFT+Hubbard U   Chao Cao
• [Pw_forum] 3rd Annual CNF Fall Workshop on Nanoscience and Geology   stewart at cnf.cornell.edu
• [Pw_forum] how to get U in DFT+Hubbard U   Matteo Cococcioni
• [Pw_forum] 3rd Annual CNF Fall Workshop on Nanoscience and Geology   Stefano Baroni
• [Pw_forum] DFT+U: about how to get U   Chao Cao
• [Pw_forum] Problems with Polarization calculations   Sohrab Ismail-Beigi
• [Pw_forum] error information   Fan Yang
• [Pw_forum] error information   Axel Kohlmeyer
• [Pw_forum] Problems with Polarization calculations   Paolo Giannozzi
• [Pw_forum] How to calculate the properties of pt Bulk and the pt(111) surface   oulihui666
• [Pw_forum] How to calculate the properties of pt Bulk and the pt(111) surface   Nicholas E. Singh-Miller
• [Pw_forum] g95/cfft3d   nazari at iasbs.ac.ir
• [Pw_forum] g95/cfft3d   Jörg Saßmannshausen
• [Pw_forum] Help! phonon calculation at G point.   hailin yu
• [Pw_forum] Help! phonon calculation at G point.   Stefano Baroni
• [Pw_forum] q2r.x to calculate force constant,erors hapenned   shoutian sun
• [Pw_forum] g95/cfft3d   Paolo Giannozzi
• [Pw_forum] q2r.x to calculate force constant,erors hapenned   Eyvaz Isaev
• [Pw_forum] how to setup the dt flag in vc-relax calculations   Chaohao Hu
• [Pw_forum] how to determine mass of mixing pseudopotential by virtual.x   wangjunjie1981_0
• [Pw_forum] how to determine mass of mixing pseudopotential by virtual.x   Stefano Baroni
• [Pw_forum] How to calculate the properties of free OH   oulihui666
• [Pw_forum] How to calculate the properties of free OH   Lorenzo Paulatto
• [Pw_forum] How to calculate the properties of free OH   stewart at cnf.cornell.edu
• [Pw_forum] How to calculate the properties of free OH   Marcel Mohr
• [Pw_forum] How to calculate the properties of free OH   Nicola Marzari
• [Pw_forum] how to consider the "dt" flag during vc-relax calculations   Chaohao Hu
• [Pw_forum] how to consider the "dt" flag during vc-relax calculations   Chaohao Hu
• [Pw_forum] How to calculate the properties of free OH   Xunlei Ding
• [Pw_forum] how to consider the "dt" flag during vc-relax calculations   Axel Kohlmeyer
• [Pw_forum] How to calculate the properties of free OH   Eyvaz Isaev
• [Pw_forum] how to consider the "dt" flag during vc-relax   Cesar R.S. da Silva
• [Pw_forum] Problems with CPMD Program   Amos Leffler
• [Pw_forum] Problems with CPMD Program   Paolo Giannozzi
• [Pw_forum] how to consider the "dt" flag during vc-relax   Chaohao Hu
• [Pw_forum] How to calculate the properties of free OH   shoutian sun
• [Pw_forum] Problems with CPMD Program   Huiqun Zhou
• [Pw_forum] How to plot with dashed line in two-dimensional plot of density?   naser zare
• [Pw_forum] how to consider the "dt" flag during vc-relax   Chaohao Hu
• [Pw_forum] how to consider the "dt" flag during vc-relax   Axel Kohlmeyer
• [Pw_forum] how to consider the "dt" flag during vc-relax   Chaohao Hu
• [Pw_forum] How to calculate the properties of free OH   Paolo Giannozzi
• [Pw_forum] How to plot with dashed line in two-dimensional plot of density?   Paolo Giannozzi
• [Pw_forum] ev.x   saman ghaderyan
• [Pw_forum] ev.x   Eyvaz Isaev
• [Pw_forum] A small thing about phonon.   shoutian sun
• [Pw_forum] how to determine the mass of mixing pseudopotential by virtual.x   Yanyan
• [Pw_forum] how to determine the mass of mixing pseudopotential by virtual.x   Stefano Baroni
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Paul M. Grant
• [Pw_forum] thanks   saman ghaderyan
• [Pw_forum] A small thing about phonon.   Paolo Giannozzi
• [Pw_forum] how to determine the mass of mixing pseudopotential by virtual.x   Stefano de Gironcoli
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   lan haiping
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Jörg Saßmannshausen
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   mbaris at metu.edu.tr
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Paolo Giannozzi
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   Paolo Giannozzi
• [Pw_forum] problem ph.x   Martina Dell'Angela
• [Pw_forum] How to plot with dashed line in two-dimensional plot of density?   naser zare
• [Pw_forum] How to plot with dashed line in two-dimensional plot of density?   Paolo Giannozzi
• [Pw_forum] problem ph.x   Paolo Giannozzi
• [Pw_forum] problem ph.x   Martina Dell'Angela
• [Pw_forum] problem ph.x   Paolo Giannozzi
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Paul M. Grant
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Axel Kohlmeyer
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Paul M. Grant
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Axel Kohlmeyer
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Paul M. Grant
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Axel Kohlmeyer
• [Pw_forum] A problem K_POINTS nq and q2r.x in calculation of dispersion curve and DOS.   shoutian sun
• [Pw_forum] kubuntu+gfortran+configure+make all=no executables   Paul M. Grant
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   lan haiping
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   Eyvaz Isaev
• [Pw_forum] negative frequencies during phonon calculations   C.H. Hu
• [Pw_forum] negative frequencies during phonon calculations   Katalin Gaal-Nagy
• [Pw_forum] A problem K_POINTS nq and q2r.x in calculation of dispersion curve and DOS.   Paolo Giannozzi
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   lan haiping
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   Eyvaz Isaev
• [Pw_forum] How to deal with semicore states with Norm conserving PP?   lan haiping
• [Pw_forum] too many nodes for 1d1.x code   lan haiping
• [Pw_forum] too many nodes for 1d1.x code   Eyvaz Isaev
• [Pw_forum] how to determine the mass of virtual-atom generated by virtual.x   wangjunjie1981_0
• [Pw_forum] too many nodes for 1d1.x code   lan haiping
• [Pw_forum] how to determine the mass of virtual-atom generated by virtual.x   Eyvaz Isaev
• [Pw_forum] pw.x runtime error on ibm sp5   Garold Murdachaew
• [Pw_forum] how to determine the mass of virtual-atom generated by virtual.x   Stefano de Gironcoli
• [Pw_forum] too many nodes for 1d1.x code   Paolo Giannozzi
• [Pw_forum] too many nodes for 1d1.x code   Paolo Giannozzi
• [Pw_forum] help for convergence in "Computing Second order response"   hyello25 Qgrui
• [Pw_forum] pw.x runtime error on ibm sp5   Paolo Giannozzi
• [Pw_forum] cp trouble!   shangyi
• [Pw_forum] cp trouble!   Paolo Giannozzi
• [Pw_forum] cp trouble! real one :-)   shangyi
• [Pw_forum] cp trouble! real one :-)   Paolo Giannozzi
• [Pw_forum] A simple problem about display   oulihui666
• [Pw_forum] A simple problem about display   Stefano Baroni
• [Pw_forum] cp trouble! real one :-)   shangyi
• [Pw_forum] A simple problem about display   Xunlei Ding
• [Pw_forum] too many nodes for 1d1.x code   lan haiping
• [Pw_forum] cp trouble! real one :-)   Paolo Giannozzi
• [Pw_forum] cp trouble! real one :-)   Axel Kohlmeyer
• [Pw_forum] cp trouble! real one :-)   shangyi
• [Pw_forum] phonon   zahra sadat naghavi
• [Pw_forum] phonon   Giovanni Cantele
• [Pw_forum] phonon   Stefano de Gironcoli
• [Pw_forum] phonon   Stefano Baroni
• [Pw_forum] phonon   Stefano Baroni
• [Pw_forum] about 'relax' calculation for a large job   alan chen
• [Pw_forum] Plotting band structure using the xmgr file   Hashem Al-Yamani
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   xu yuehua
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   lan haiping
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   xu yuehua
• [Pw_forum] Plotting band structure using the xmgr file   Giovanni Cantele
• [Pw_forum] Problems with Polarization calculations   Paolo Giannozzi
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   Marcel Mohr
• [Pw_forum] about 'relax' calculation for a large job (alan chen)   umari at democritos.it
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   lan haiping
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   xu yuehua
• [Pw_forum] some simple problems   oulihui666
• [Pw_forum] (no subject)   zahra sadat naghavi
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   Marcel Mohr
• [Pw_forum] (no subject)   Stefano Baroni
• [Pw_forum] a question about whether the phonon calculation can continue when the machine is shut down suddenly   Paolo Giannozzi
• [Pw_forum] about 'relax' calculation for a large job   Paolo Giannozzi
• [Pw_forum] help for convergence in "Computing Second order response"   Paolo Giannozzi
• [Pw_forum] The negative frequencies in the calculation of phonon.   shoutian sun
• [Pw_forum] The negative frequencies in the calculation of phonon.   Paolo Giannozzi

Last message date: Wed Oct 31 16:06:26 CET 2007
Archived on: Wed Oct 31 16:06:40 CET 2007

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