April 2007 Archives by thread

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Starting: Mon Apr 2 11:14:39 CEST 2007
Ending: Mon Apr 30 23:18:58 CEST 2007
Messages: 260

• [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Paolo Giannozzi
• [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Axel Kohlmeyer
• [Pw_forum] Electron affinity   lukethulin at netscape.net
  • [Pw_forum] Electron affinity   Stefano Baroni
• [Pw_forum] using *_extrapolation in pw   Sergey Lisenkov
  • [Pw_forum] using *_extrapolation in pw   Paolo Giannozzi
• [Pw_forum] error in band structure calculation   Xinxin Yao
  • [Pw_forum] error in band structure calculation   Federico Iori
    • [Pw_forum] error in band structure calculation   Paolo Giannozzi
• [Pw_forum] Re:error in band structure calculation   Xinxin Yao
  • [Pw_forum] Re:error in band structure calculation   Paolo Giannozzi
• [Pw_forum] Re:error in band structure calculation   Xinxin Yao
• [Pw_forum] the magnetizan calculation   Xi Zhu
  • [Pw_forum] the magnetizan calculation   wlyim at puccini.che.pitt.edu
    • [Pw_forum] the magnetizan calculation   Stefano Baroni
  • [Pw_forum] the magnetizan calculation   Axel Kohlmeyer
• [Pw_forum] the magnetizan calculation   Eyvaz Isaev
• [Pw_forum] compilation error   Vastu Shastra
  • [Pw_forum] compilation error   Davide Ceresoli
• [Pw_forum] compilation error   Eyvaz Isaev
  • [Pw_forum] compilation error   Vastu Shastra
• [Pw_forum] Does anyone have C.pz-mt.UPF ?   li niu
  • [Pw_forum] Does anyone have C.pz-mt.UPF ?   Nicola Marzari
    • [Pw_forum] Does anyone have C.pz-mt.UPF ?   Paolo Giannozzi
    • [Pw_forum] Does anyone have C.pz-mt.UPF ?   Paolo Giannozzi
• [Pw_forum] fqha.x   Shriram Shivaraman
• [Pw_forum] fqha.x   Eyvaz Isaev
  • [Pw_forum] fqha.x   Shriram Shivaraman
    • [Pw_forum] fqha.x   Katalin Gaal-Nagy
• [Pw_forum] larger k mesh   Amit Kumar
  • [Pw_forum] larger k mesh   Paolo Giannozzi
• [Pw_forum] vc-relax bug?   Javier Antonio Montoya
  • [Pw_forum] vc-relax bug?   Konstantin Kudin
    • [Pw_forum] vc-relax bug?   Paolo Giannozzi
• [Pw_forum] Help me about NEB   Nguyen Ngoc Ha
• [Pw_forum] fqha.x   Eyvaz Isaev
  • [Pw_forum] fqha.x   Shriram Shivaraman
• [Pw_forum] A CRASH problem for ld1.x code   lan haiping
  • [Pw_forum] A CRASH problem for ld1.x code   Paolo Giannozzi
  • [Pw_forum] A CRASH problem for ld1.x code   lan haiping
  • [Pw_forum] A CRASH problem for ld1.x code   Paolo Giannozzi
  • [Pw_forum] A CRASH problem for ld1.x code   lan haiping
  • [Pw_forum] fixed spin moment calculations   Adeagbo Waheed Adeniyi
• [Pw_forum] fixed spin moment calculations   Eyvaz Isaev
  • [Pw_forum] fixed spin moment calculations   Paolo Giannozzi
• [Pw_forum] vc-relax bug?   cesards at msi.umn.edu
  • [Pw_forum] vc-relax bug?   Javier Antonio Montoya
    • [Pw_forum] EPC of Aluminium at X   Paolo Giannozzi
• [Pw_forum] Does any one have Gd and Ce Pseudopotentials???   Prithwish Nandi
  • [Pw_forum] Does any one have Gd and Ce Pseudopotentials???   stefano fabris
• [Pw_forum] How to calculate the relaxation calculation by setting one of the atomic coordinate fixed???   Eyvaz Isaev
  • [Pw_forum] 回覆： Re: [Pw_forum] How to calculate the relaxation calculation by setting one of the atomic coordinate fixed???   Lawrence Lee
• [Pw_forum] How to calculate the relaxation calculation by setting one of the atomic coordinate fixed???   Prithwish Nandi
• [Pw_forum] How to do the relaxation calculation by keeping one atom at a fixed coordinate???   pnspeaks at sify.com
  • [Pw_forum] How to do the relaxation calculation by keeping one atom at a fixed coordinate???   Stefano Baroni
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Gilles Hug
  • [Pw_forum] intel mac - compilation with ifort/icc and not gcc   Axel Kohlmeyer
• [Pw_forum] Does any one have Gd and Ce Pseudopotentials???   Prithwish Nandi
  • [Pw_forum] choose a grid for ph.x   Ezad Shojaee
• [Pw_forum] Please help me about NEB   Nguyen Ngoc Ha
• [Pw_forum] CPU Timing   Paul M. Grant
• [Pw_forum] CPU Timing   Eyvaz Isaev
  • [Pw_forum] phonon DOS   Ezad Shojaee
• [Pw_forum] Linux ia32 required additional flags and emits warnings   Alexander McPhail
  • [Pw_forum] Linux ia32 required additional flags and emits warnings   Axel Kohlmeyer
    • [Pw_forum] Linux ia32 required additional flags and emits warnings   Paolo Giannozzi
• [Pw_forum] Mg.pz-n-vbc.UPF O.pz-mt.UPF give negative pressure in MgO md calculation   Lawrence Lee
  • [Pw_forum] Mg.pz-n-vbc.UPF O.pz-mt.UPF give negative pressure in MgO md calculation   Nicola Marzari
    • [Pw_forum] 回覆： Re: [Pw_forum] Mg.pz-n-vbc.UPF O.pz-mt.UPF give negative pressure in MgO md calculation   Lawrence Lee
      • [Pw_forum] Mg.pz-n-vbc.UPF O.pz-mt.UPF give negative pressure in MgO md calculation   Lawrence Lee
• [Pw_forum] Linux ia32 build error - MAIL_ not defined   Alexander McPhail
  • [Pw_forum] Linux ia32 build error - MAIL_ not defined   Paolo Giannozzi
  • [Pw_forum] Re: configure: error: linking to Fortran libraries from C fails   Stefano Baroni
• [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   陳 少華
  • [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   Stefano Baroni
  • [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   Malgorzata Wierzbowska
  • [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   Matteo Cococcioni
  • [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   陳 少華
  • "**Suspected SPAM**" Re: [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   Malgorzata Wierzbowska
  • [Pw_forum] Does anyone know the Hubbard U parameter of InN ?   Paolo Giannozzi
• [Pw_forum] CPU Timing   Paul M. Grant
• [Pw_forum] compiling error   Sergey Lisenkov
  • [Pw_forum] compiling error   Paolo Giannozzi
• [Pw_forum] Xcrysden error   Eduardo Ariel Menendez P
  • [Pw_forum] Xcrysden error   Lorenzo Paulatto
    • [Pw_forum] Xcrysden error   Tone Kokalj
• [Pw_forum] Lost My Subscription   Paul M. Grant
  • [Pw_forum] Lost My Subscription   Paolo Giannozzi
  • [Pw_forum] Lost My Subscription   Nicola Marzari
  • [Pw_forum] Lost My Subscription   Axel Kohlmeyer
• [Pw_forum] About valence bands maximum   lan haiping
• [Pw_forum] Lost My Subscription   Paul M. Grant
• [Pw_forum] Re: Linux ia32 build error - MAIL_ not defined (Paolo Giannozzi)   Vivian McPhail
  • [Pw_forum] Re: Linux ia32 build error - MAIL_ not defined (Paolo Giannozzi)   Davide Ceresoli
• [Pw_forum] Re: Xcrysden error   Eduardo Ariel Menendez P
  • [Pw_forum] Re: Xcrysden error   Tone Kokalj
• [Pw_forum] Re: Xcrysden error   Eduardo Ariel Menendez P
  • [Pw_forum] Re: Xcrysden error   Axel Kohlmeyer
    • [Pw_forum] Re: Xcrysden error   Eduardo Ariel Menendez P
    • [Pw_forum] Re: Xcrysden error   Tone Kokalj
• [Pw_forum] About PH warning !   lan haiping
• [Pw_forum] About PH warning !   Eyvaz Isaev
• [Pw_forum] About PH warning !   Eyvaz Isaev
  • [Pw_forum] About PH warning !   lan haiping
  • [Pw_forum] Re: Xcrysden error   Axel Kohlmeyer
• [Pw_forum] Re: Xcrysden error   Axel Kohlmeyer
  • [Pw_forum] ph.x v3.2 on NEC SX-8   wlyim at puccini.che.pitt.edu
    • [Pw_forum] ph.x v3.2 on NEC SX-8   Paolo Giannozzi
    • [Pw_forum] ph.x v3.2 on NEC SX-8   wlyim at puccini.che.pitt.edu
• [Pw_forum] about choosing density for solving scf   Amin Babazadeh
  • [Pw_forum] about choosing density for solving scf   Paolo Giannozzi
• [Pw_forum] Why does pw.x think that I have 76 k-points?   Brad Malone
  • [Pw_forum] Why does pw.x think that I have 76 k-points?   Malgorzata Wierzbowska
    • [Pw_forum] Why does pw.x think that I have 76 k-points?   Paolo Giannozzi
• [Pw_forum] Re: Why does pw.x think that I have 76 k-points?   Brad Malone
  • [Pw_forum] Re: Why does pw.x think that I have 76 k-points?   Brad Malone
• [Pw_forum] Relativistic GGA calculations   Lazaro Calderin
  • [Pw_forum] Relativistic GGA calculations   lan haiping
• [Pw_forum] Unit for "FREQUENCY" cart?   Alexander Shaposhnikov
  • [Pw_forum] Unit for "FREQUENCY" cart?   Huy-Viet Nguyen
  • [Pw_forum] Unit for "FREQUENCY" cart?   Viet Huy Nguyen
    • [Pw_forum] Unit for "FREQUENCY" cart?   degironc
• [Pw_forum] Relativistic GGA ?   Lazaro Calderin
  • [Pw_forum] Relativistic GGA ?   Andrea Dal Corso
• [Pw_forum] pseudo potential   saman ghaderyan
  • [Pw_forum] pseudo potential   degironc
• [Pw_forum] PWscf vs. CP   Peter Winey
  • [Pw_forum] PWscf vs. CP   Axel Kohlmeyer
  • [Pw_forum] PWscf vs. CP   Nicola Marzari
    • [Pw_forum] PWscf vs. CP   Peter Winey
      • [Pw_forum] PWscf vs. CP   Paolo Giannozzi
      • [Pw_forum] PWscf vs. CP   Peter Winey
• [Pw_forum] About valence bands maximum   roma
  • [Pw_forum] About valence bands maximum   lan haiping
• [Pw_forum] Work function calculation of CNT   Tuo-Hung Hou
  • [Pw_forum] Work function calculation of CNT   Nicola Marzari
    • [Pw_forum] Work function calculation of CNT   Hande Ustunel
      • [Pw_forum] Work function calculation of CNT   Tuo-Hung Hou
      • [Pw_forum] Work function calculation of CNT   degironc
• [Pw_forum] on Raman spectra of large disorder system   li niu
• [Pw_forum] Band structure paths   lukethulin at netscape.net
  • [Pw_forum] Band structure paths   Michael Mehl
• [Pw_forum] Optimal number of CPUs   Ihor Kupchak
  • [Pw_forum] Optimal number of CPUs   Axel Kohlmeyer
  • [Pw_forum] Optimal number of CPUs   Nicola Marzari
• [Pw_forum] Question on geometry relaxation   vu ongphuong
  • [Pw_forum] Question on geometry relaxation   Marcel Mohr
• [Pw_forum] zns phonon freq   saman ghaderyan
  • [Pw_forum] zns phonon freq   Axel Kohlmeyer
• [Pw_forum] Question on bond overlap population calculation   vu ongphuong
  • [Pw_forum] Question on bond overlap population calculation   Paolo Giannozzi
  • [Pw_forum] Not conversed force for relaxed calculation   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] kpoint_grid & npk   Paul M. Grant
  • [Pw_forum] kpoint_grid & npk   Paolo Giannozzi
• [Pw_forum] Question on bond overlap population calculation   vu ongphuong
  • [Pw_forum] Question on bond overlap population calculation   Lorenzo Paulatto
• [Pw_forum] geometry optimizaion-how to make it faster   Sen
  • [Pw_forum] geometry optimizaion-how to make it faster   Stefano de Gironcoli
  • [Pw_forum] magnetization and lowdin charges   Hande Ustunel
    • [Pw_forum] magnetization and lowdin charges   Axel Kohlmeyer
• [Pw_forum] on the finite electric field method   li niu
• [Pw_forum] Re: Relativistic GGA ?   Lazaro Calderin
  • [Pw_forum] Re: Relativistic GGA ?   Axel Kohlmeyer
• [Pw_forum] optimize the amorphour structure   li niu
  • [Pw_forum] optimize the amorphour structure   Jean-Yves Raty
• [Pw_forum] phonon freq   saman ghaderyan
  • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Hongyi Zhao
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Chao Cao
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Hongyi Zhao
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Chao Cao
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Marcel Mohr
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Hongyi Zhao
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Marcel Mohr
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   wlyim at puccini.che.pitt.edu
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Chao Cao
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Axel Kohlmeyer
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   lan haiping
    • [Pw_forum] Fatal Error: File 'mpif.h' not found.   Marcel Mohr
  • [Pw_forum] what is w1 and w2 for bfgs relaxed calculation   yukihiro_okuno at fujifilm.co.jp
    • [Pw_forum] what is w1 and w2 for bfgs relaxed calculation   Paolo Giannozzi
    • [Pw_forum] Off-topic: memory usage issues   Marcos Verissimo Alves
    • [Pw_forum] Off-topic: memory usage issues   Axel Kohlmeyer
    • [Pw_forum] Off-topic: memory usage issues   Marcos Verissimo Alves
    • [Pw_forum] Off-topic: memory usage issues   Paolo Giannozzi
  • [Pw_forum] Where can I get the latest cvs source of espresso and pwgui?   Hongyi Zhao
    • [Pw_forum] Where can I get the latest cvs source of espresso and pwgui?   Paolo Giannozzi
• [Pw_forum] help: about the unit of force   hyello25 Qgrui
  • [Pw_forum] help: about the unit of force   Javad hashemifar
  • [Pw_forum] help: about the unit of force   Nicola Marzari
• [Pw_forum] on optimize amorphous structure   li niu
  • [Pw_forum] on optimize amorphous structure   Matteo Cococcioni
• [Pw_forum] problems about electron-phonon coupling   clie
• [Pw_forum] iotk make error   Hashem Al-Yamani
  • [Pw_forum] iotk make error   Andrea Ferretti
• [Pw_forum] mpiexec parallel error   Hashem Al-Yamani
  • [Pw_forum] mpiexec parallel error   Axel Kohlmeyer
• [Pw_forum] Lattice Constant Optimization of Aluminum   Paul M. Grant
  • [Pw_forum] Lattice Constant Optimization of Aluminum   PRASENJIT GHOSH
    • [Pw_forum] Lattice Constant Optimization of Aluminum   Paul M. Grant
      • [Pw_forum] Lattice Constant Optimization of Aluminum   Paolo Giannozzi
      • [Pw_forum] Lattice Constant Optimization of Aluminum   Paul M. Grant
      • [Pw_forum] Lattice Constant Optimization of Aluminum   Stefano Baroni
      • [Pw_forum] Lattice Constant Optimization of Aluminum   Paul M. Grant
      • [Pw_forum] Lattice Constant Optimization of Aluminum   Stefano Baroni
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1444 - 2 msgs   clie
  • [Pw_forum] Re: Pw_forum digest, Vol 1 #1444 - 2 msgs   Paolo Giannozzi
  • [Pw_forum] Re: Pw_forum digest, Vol 1 #1444 - 2 msgs   Miguel Martínez Canales
• [Pw_forum] RE: on the finite electric field method   umari at democritos.it
• [Pw_forum] vc-relax   li niu
• [Pw_forum] looking for a routine to symmetrize matrix elements   Nicolas Chamel
  • [Pw_forum] looking for a routine to symmetrize matrix elements   Nicola Marzari
    • [Pw_forum] looking for a routine to symmetrize matrix elements   Stefano Baroni
• [Pw_forum] on finite electric field method   li niu
• [Pw_forum] problem in band structure calculation   Xinxin Yao
  • [Pw_forum] problem in band structure calculation   Giovanni Cantele
• [Pw_forum] about the ibrav=0   hyello25 Qgrui
• [Pw_forum] Re: looking for a routine to symmetrize matrix elements   Nicolas Chamel
  • [Pw_forum] Re: looking for a routine to symmetrize matrix elements   Nicola Marzari
• [Pw_forum] 2D special points   Nicolas Chamel
  • [Pw_forum] 2D special points   Stefano Baroni
  • [Pw_forum] 2D special points   Eyvaz Isaev
  • [Pw_forum] 2D special points   Stefano Baroni
  • [Pw_forum] 2D special points   Nichols A. Romero
    • [Pw_forum] 2D special points   Michael Mehl
• [Pw_forum] 2D special points   Nicolas Chamel
  • [Pw_forum] 2D special points   Stefano Baroni
• [Pw_forum] 2D special points   Nicolas Chamel
• [Pw_forum] Re: looking for a routine to symmetrize matrix elements   Nicolas Chamel
• [Pw_forum] 2D special points   Nicolas Chamel
• [Pw_forum] mean value point for arbitrary lattices   Nicolas Chamel
  • [Pw_forum] mean value point for arbitrary lattices   Lorenzo Paulatto
• [Pw_forum] iotk_scan_dat & dos.x   Paul M. Grant
  • [Pw_forum] iotk_scan_dat & dos.x   Andrea Ferretti
    • [Pw_forum] iotk_scan_dat & dos.x   Paul M. Grant
    • [Pw_forum] What's meaning of the origin of the first BZ and which planes are corresponding to it in the real lattice space?   Hongyi Zhao
      • [Pw_forum] What's meaning of the origin of the first BZ and which planes are corresponding to it in the real lattice space?   degironc
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1445 - 7 msgs   clie
• [Pw_forum] mean value point for arbitrary lattices   Nicolas Chamel
  • [Pw_forum] mean value point for arbitrary lattices   degironc
  • [Pw_forum] mean value point for arbitrary lattices   Lorenzo Paulatto
• [Pw_forum] finite electric fields   li niu
• [Pw_forum] mean value point for arbitrary lattices   Nicolas Chamel
• [Pw_forum] (no subject)   Nicolas Chamel
• [Pw_forum] Can anyone help me with bandstructure calculations of GaN   Daya sagar
  • [Pw_forum] Can anyone help me with bandstructure calculations of GaN   Axel Kohlmeyer
    • [Pw_forum] Can anyone help me with bandstructure calculations of GaN   Stefano Baroni
  • [Pw_forum] Can anyone help me with bandstructure calculations of GaN   Pavel B. Sorokin
• [Pw_forum] transition state   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] transition state   Stefano Baroni
  • [Pw_forum] Compilation trouble with g95 on AMD64 Athlon 3500   merlin meheut
    • [Pw_forum] Compilation trouble with g95 on AMD64 Athlon 3500   Andrea Ferretti
      • [Pw_forum] Compilation trouble with g95 on AMD64 Athlon 3500   merlin meheut
• [Pw_forum] finite dielectric methods   li niu
  • [Pw_forum] finite dielectric methods   Stefano Baroni
  • [Pw_forum] Titanium rrkjus pseudopotential   Dario Rocca
• [Pw_forum] nanowire   ali kazempoor
• [Pw_forum] transition state   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] transition state   Stefano Baroni
• [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   Konstantin Kudin
  • [Pw_forum] spilling parameter in Lowdin - how to assign the charge that went into Nirvana ?   degironc

Last message date: Mon Apr 30 23:18:58 CEST 2007
Archived on: Tue Jul 10 14:24:20 CEST 2007

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