September 2010 Archives by thread

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Starting: Wed Sep 1 05:24:44 CEST 2010
Ending: Thu Sep 30 21:40:14 CEST 2010
Messages: 234

• [Pw_forum] Which smearing scheme is best for the semiconductor DOS and PDOS calculations   wujianchun
  • [Pw_forum] Which smearing scheme is best for the semiconductor DOS and PDOS calculations   Paolo Giannozzi
    • [Pw_forum] Which smearing scheme is best for the semiconductor DOS and PDOS calculations   wujianchun
• [Pw_forum] inverse participation ratio   Roberto Guerra
  • [Pw_forum] inverse participation ratio   Paolo Giannozzi
    • [Pw_forum] Example07   Stefano Baroni
    • [Pw_forum] HCP and FCC site energy difference on Cu 111   Wong Kelvin
      • [Pw_forum] HCP and FCC site energy difference on Cu 111   Stefano de Gironcoli
      • [Pw_forum] HCP and FCC site energy difference on Cu 111   Cyrille Barreteau
• [Pw_forum] Improve convergence, slab and electric field.   joaquin peralta
  • [Pw_forum] Improve convergence, slab and electric field.   Tone Kokalj
    • [Pw_forum] Improve convergence, slab and electric field.   joaquin peralta
  • [Pw_forum] Improve convergence, slab and electric field.   joaquin peralta
• [Pw_forum] Nscf and scf   Vo, Trinh (388C)
  • [Pw_forum] Nscf and scf   Paolo Giannozzi
    • [Pw_forum] Nscf and scf   Vo, Trinh (388C)
  • [Pw_forum] Nscf and scf   Stefano de Gironcoli
    • [Pw_forum] Nscf and scf   Vo, Trinh (388C)
• [Pw_forum] Precision   Álvaro Alves
• [Pw_forum] A problem with pwcond.x   mohsen modaresi
  • [Pw_forum] A problem with pwcond.x   Gabriele Sclauzero
    • [Pw_forum] A problem with pwcond.x   Alex Smogunov
      • [Pw_forum] A problem with pwcond.x   mohsen modaresi
      • [Pw_forum] A problem with pwcond.x   Gabriele Sclauzero
      • [Pw_forum] A problem with pwcond.x   mohsen modaresi
      • [Pw_forum] A problem with pwcond.x   Gabriele Sclauzero
      • [Pw_forum] A problem with pwcond.x   mohsen modaresi
• [Pw_forum] examples 01 & 05 and finding orbitals   barfi koa
  • [Pw_forum] examples 01 & 05 and finding orbitals   vega lew
• [Pw_forum] PBE functional for Mg   mohnish pandey
  • [Pw_forum] Spin polarized calculation   nazari at iasbs.ac.ir
    • [Pw_forum] Spin polarized calculation   Duy Le
      • [Pw_forum] Spin polarized calculation   Matteo Cococcioni
• [Pw_forum] ldos and pdos   barfi koa
  • [Pw_forum] ldos and pdos   Paolo Giannozzi
• [Pw_forum] Mg pseudopotential without semi-core state   mohnish pandey
• [Pw_forum] DOS problem   mohsen modaresi
  • [Pw_forum] DOS problem   Stefano de Gironcoli
  • [Pw_forum] DOS problem   Mighfar Imam
    • [Pw_forum] DOS problem   mohsen modaresi
    • [Pw_forum] DOS problem   Cyrille Barreteau
• [Pw_forum] How to choose the energy0 value while doing a Ballistic conductance using the code pwcond.x   Dimpy Sharma
  • [Pw_forum] How to choose the energy0 value while doing a Ballistic conductance using the code pwcond.x   mohsen modaresi
    • [Pw_forum] How to choose the energy0 value while doing a Ballistic conductance using the code pwcond.x   Manoj Srivastava
    • [Pw_forum] How to choose the energy0 value while doing a Ballistic conductance using the code pwcond.x   Gabriele Sclauzero
• [Pw_forum] calculation of lattice parameters[ i.e. 'a' and 'c/a' ratio] for HCP metals say Mg.   bisu123 at platinum.materials.iisc.ernet.in
  • [Pw_forum] calculation of lattice parameters[ i.e. 'a' and 'c/a' ratio] for HCP metals say Mg.   mohnish pandey
• [Pw_forum] deadline extension   marsamos at democritos.it
• [Pw_forum] Re [5] : PP-US of Au   reza shidpoor
  • [Pw_forum] Re [5] : PP-US of Au   Gabriele Sclauzero
  • [Pw_forum] Re [5] : PP-US of Au   Paolo Giannozzi
• [Pw_forum] segmentation fault in PWcond calcuation   Dimpy Sharma
  • [Pw_forum] segmentation fault in PWcond calcuation   Gabriele Sclauzero
• [Pw_forum] wfc files.   MATEUS JOSÉ FERNANDES MARTINS
  • [Pw_forum] wfc files.   Paolo Giannozzi
• [Pw_forum] wfc files.   MATEUS JOSÉ FERNANDES MARTINS
  • [Pw_forum] Are the units of the "efield" tag in the PW.x and CP.x codes different?   S. Sanchez
    • [Pw_forum] Are the units of the "efield" tag in the PW.x and CP.x codes different?   Paolo Giannozzi
• [Pw_forum] Single Cell vs Super-Cell   Peter O Orondo
  • [Pw_forum] Single Cell vs Super-Cell   mohsen modaresi
  • [Pw_forum] Single Cell vs Super-Cell   Paolo Giannozzi
    • [Pw_forum] Hi   Thaneshwor Kaloni
  • [Pw_forum] Bilayer graphene with electric field applied (revisited)   Elie Moujaes
    • [Pw_forum] Low q phonon mode.   Bipul Rakshit
      • [Pw_forum] Low q phonon mode.   Eyvaz Isaev
      • [Pw_forum] Quantum Espresso installed, but examples not running   Alexander Eftimiades
      • [Pw_forum] Quantum Espresso installed, but examples not running   Eyvaz Isaev
      • [Pw_forum] Quantum Espresso installed, but examples not running   Paolo Giannozzi
      • [Pw_forum] Quantum Espresso installed, but examples not running   Alexander Eftimiades
      • [Pw_forum] Quantum Espresso installed, but examples not running   Paolo Giannozzi
      • [Pw_forum] Quantum Espresso installed, but examples not running   Alexander Eftimiades
      • [Pw_forum] Quantum Espresso installed, but examples not running   mohsen modaresi
      • [Pw_forum] Quantum Espresso installed, but examples not running   Alexander Eftimiades
      • [Pw_forum] Quantum Espresso installed, but examples not running   Paolo Giannozzi
      • [Pw_forum] Quantum Espresso installed, but examples not running   Alexander Eftimiades
  • [Pw_forum] q2r.x error   jiaxu yan
    • [Pw_forum] q2r.x error   Paolo Giannozzi
    • [Pw_forum] q2r.x error   jiaxu yan
• [Pw_forum] dos anyone has a potassium pseudopotential with PBE and 9 valences   Wei Zhou
• [Pw_forum] How to fix certain bond length in NEB calculation   vega lew
  • [Pw_forum] dosup and pdosup in pdos_tot file   B. Koa
    • [Pw_forum] dosup and pdosup in pdos_tot file   Gabriele Sclauzero
• [Pw_forum] Re [6] : US-PP of Au   reza shidpoor
  • [Pw_forum] Re [6] : US-PP of Au   Lorenzo Paulatto
  • [Pw_forum] non existent or non writable directory   Elie Moujaes
    • [Pw_forum] Re : non existent or non writable directory   Bertrand SITAMTZE
      • [Pw_forum] Re : non existent or non writable directory   Paolo Giannozzi
      • [Pw_forum] non existent or non writable directory   Elie Moujaes
• [Pw_forum] Re [7] : US-PP of Au   reza shidpoor
  • [Pw_forum] Re [7] : US-PP of Au   Gabriele Sclauzero
• [Pw_forum] problem using ld1.x   HABIBI Parwana
  • [Pw_forum] problem using ld1.x   Lorenzo Paulatto
• [Pw_forum] pwcond.x;nz1,ewind and epsproj   Dimpy Sharma
  • [Pw_forum] pwcond.x;nz1,ewind and epsproj   Gabriele Sclauzero
• [Pw_forum] Problems with pw   ettore
  • [Pw_forum] Problems with pw   Paolo Giannozzi
• [Pw_forum] prob with cppp.x in QE-4.2.1   Somesh Kumar Bhattacharya
  • [Pw_forum] "segmentation fault" in new version of ubuntu   mohnish pandey
    • [Pw_forum] "segmentation fault" in new version of ubuntu   Paolo Giannozzi
    • [Pw_forum] "segmentation fault" in new version of ubuntu   mohnish pandey
• [Pw_forum] input dist.x   Álvaro Alves
  • [Pw_forum] input dist.x   Paolo Giannozzi
  • [Pw_forum] Res: input dist.x   Álvaro Alves
  • [Pw_forum] vc-relax problem when calculate lattice parameters   Wang Di
    • [Pw_forum] vc-relax problem when calculate lattice parameters   mohnish pandey
    • [Pw_forum] vc-relax problem when calculate lattice parameters   Wang Di
    • [Pw_forum] vc-relax problem when calculate lattice parameters   mohnish pandey
• [Pw_forum] Re [8] : US-PP of Au   reza shidpoor
  • [Pw_forum] Re [8] : US-PP of Au   Paolo Giannozzi
  • [Pw_forum] Re [8] : US-PP of Au   Huiqun Zhou
• [Pw_forum] problems with converge of geometric optimization   Stephan Rix
  • [Pw_forum] problems with converge of geometric optimization   Stefano de Gironcoli
• [Pw_forum] Occupations in CP   Giovanni La Penna
• [Pw_forum] problems with converge of geometric optimization   jia chen
  • [Pw_forum] Bi - pseudopotential (fully relativistic)   Vasse chis
• [Pw_forum] problems with converge of geometric optimization   Stephan Rix
  • [Pw_forum] problems with converge of geometric optimization   Stefano de Gironcoli
• [Pw_forum] Error   Bipul Rakshit
  • [Pw_forum] Error   Paolo Giannozzi
• [Pw_forum] Single Cell vs Super-Cell   Peter O Orondo
• [Pw_forum] where does pp.x get degauss from for plot_num = 3?   J. D. Burton
  • [Pw_forum] where does pp.x get degauss from for plot_num = 3?   Paolo Giannozzi
  • [Pw_forum] quantum capacitance   Elie Moujaes
• [Pw_forum] no. of nbnd   vicky singh
  • [Pw_forum] no. of nbnd   Duy Le
    • [Pw_forum] no. of nbnd   Paolo Giannozzi
  • [Pw_forum] no. of nbnd   Nicola Marzari
    • [Pw_forum] no. of nbnd   vicky singh
• [Pw_forum] Do you think we could fix certain bond length during the relax calculation   vega lew
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   Paolo Giannozzi
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   vega lew
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   vega lew
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   Paolo Giannozzi
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   vega lew
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   Paolo Giannozzi
  • [Pw_forum] Do you think we could fix certain bond length during the relax calculation   vega lew
• [Pw_forum] question about press_conv_thr   Jeffrey McMahon
  • [Pw_forum] question about press_conv_thr   Stefano de Gironcoli
• [Pw_forum] Problem in plotting the Charge Density   meysam pazoki
  • [Pw_forum] Problem in plotting the Charge Density   Juan Manuel Lopez
  • [Pw_forum] question about the stress in relax process   Wang Di
    • [Pw_forum] question about the stress in relax process   mohnish pandey
      • [Pw_forum] question about the stress in relax process   Wang Di
      • [Pw_forum] question about the stress in relax process   Paolo Giannozzi
      • [Pw_forum] question about the stress in relax process   mohnish pandey
      • [Pw_forum] question about the stress in relax process   Wang Di
      • [Pw_forum] question about the stress in relax process   xirainbow
      • [Pw_forum] question about the stress in relax process   Wang Di
• [Pw_forum] question about the stress in relax process   lfhuang
  • [Pw_forum] Young's Modulus   mohsen modaresi
    • [Pw_forum] Young's Modulus   Stefano Baroni
    • [Pw_forum] Young's Modulus   Eyvaz Isaev
    • [Pw_forum] Young's Modulus   Mike Mehl
    • [Pw_forum] Young's Modulus   mohsen modaresi
    • [Pw_forum] Young's Modulus   Stefano Baroni
    • [Pw_forum] Young's Modulus   Eyvaz Isaev
    • [Pw_forum] Young's Modulus   Mehmet Topsakal
    • [Pw_forum] Young's Modulus   Stefano Baroni
• [Pw_forum] prob with cp-wf   Somesh Kumar Bhattacharya
  • [Pw_forum] prob with cp-wf   Paolo Giannozzi
    • [Pw_forum] prob with cp-wf   Somesh Kumar Bhattacharya
    • [Pw_forum] prob with cp-wf   Paolo Giannozzi
    • [Pw_forum] prob with cp-wf   Somesh Kumar Bhattacharya
    • [Pw_forum] prob with cp-wf   Paolo Giannozzi
• [Pw_forum] about the installation pwscf2.1.5   Wei Zhou
  • [Pw_forum] about the installation pwscf2.1.5   Paolo Giannozzi
  • [Pw_forum] PP with semi-core states   elbuesta at icqmail.com
  • [Pw_forum] PP with semi-core states   Miguel Martínez
• [Pw_forum] dosup and pdosup in pdos_tot file   B. Koa
  • [Pw_forum] dosup and pdosup in pdos_tot file   Gabriele Sclauzero
• [Pw_forum] Young's Modulus   Eduardo Ariel Menendez Proupin
  • [Pw_forum] Young's Modulus   mohsen modaresi
    • [Pw_forum] Young's Modulus   mohsen modaresi
• [Pw_forum] maillist   web
  • [Pw_forum] Availability of phonon and raman calculations   Silvia Bahmann
    • [Pw_forum] Availability of phonon and raman calculations   Paolo Giannozzi
• [Pw_forum] Parallel calculations with NVIDIA CUDA cards.   Artem R. Khabibullin
  • [Pw_forum] Parallel calculations with NVIDIA CUDA cards.   Artem R. Khabibullin
    • [Pw_forum] Parallel calculations with NVIDIA CUDA cards.   Stefano de Gironcoli
    • [Pw_forum] Parallel calculations with NVIDIA CUDA cards.   Ivan Girotto
    • [Pw_forum] Parallel calculations with NVIDIA CUDA cards.   Stefano Baroni
  • [Pw_forum] Young's Modulus   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Young's Modulus   mohsen modaresi
• [Pw_forum] d3 errors in file reading   matthieu verstraete
  • [Pw_forum] d3 errors in file reading   Paolo Giannozzi
  • [Pw_forum] d3 errors in file reading   matthieu verstraete
  • [Pw_forum] d3 errors in file reading   Paolo Giannozzi
  • [Pw_forum] d3 errors in file reading   matthieu verstraete
  • [Pw_forum] d3 errors in file reading   Paolo Giannozzi
• [Pw_forum] dosup and pdosup in pdos_tot file   B. Koa
  • [Pw_forum] dosup and pdosup in pdos_tot file   Gabriele Sclauzero
• [Pw_forum] compilation error   alex.msilva
  • [Pw_forum] compilation error -- solved   alex.msilva
• [Pw_forum] pwgui: cannot load tcl library   hgm20090101
• [Pw_forum] compile on ia64-hp-hpux11.23   hgm20090101
• [Pw_forum] compile on ia64-hp-hpux11.23   lfhuang
• [Pw_forum] energy cutoff for oxides   mayank gupta
  • [Pw_forum] energy cutoff for oxides   Lorenzo Paulatto
    • [Pw_forum] energy cutoff for oxides   mohnish pandey
• [Pw_forum] Parallel calculations with NVIDIA CUDA cards.   Artem R. Khabibullin
• [Pw_forum] energy cutoff for oxides   sonu kumar
• [Pw_forum] Hessian matrix   Ihsan Erikat
  • [Pw_forum] Hessian matrix   Stefano Baroni
  • [Pw_forum] Bilayer graphene with an electric field applied   Elie Moujaes
    • [Pw_forum] Bilayer graphene with an electric field applied   Gabriele Sclauzero
      • [Pw_forum] Bilayer graphene with an electric field applied   Elie Moujaes
      • [Pw_forum] Bilayer graphene with an electric field applied   Elie Moujaes
      • [Pw_forum] Bilayer graphene with an electric field applied   Gabriele Sclauzero
      • [Pw_forum] Bilayer graphene with an electric field applied   Lorenzo Paulatto
  • [Pw_forum] A Quastion about stress   Mahdi Mirnezhad
    • [Pw_forum] A Quastion about stress   Paolo Giannozzi
• [Pw_forum] negative values in XANES   jiayudai
• [Pw_forum] weird phonon frequencies for 3X 3X 1 KPOINTS   Mehmet Topsakal
  • [Pw_forum] weird phonon frequencies for 3X 3X 1 KPOINTS   Gabriele Sclauzero
    • [Pw_forum] [SOLVED ?] Re: weird phonon frequencies for 3X 3X 1 KPOINTS   Mehmet Topsakal
• [Pw_forum] relaxation and TS   Masoud Nahali
  • [Pw_forum] relaxation and TS   vega lew
    • [Pw_forum] relaxation and TS   Stefano Baroni
    • [Pw_forum] relaxation and TS   vega lew
• [Pw_forum] A Quastion about stress   Eduardo Ariel Menendez Proupin
• [Pw_forum] symmetries   Wohlwend, Jennifer L CTR USAF AFMC AFRL/RXBT
  • [Pw_forum] symmetries   Davide Ceresoli
• [Pw_forum] symmetries   Wohlwend, Jennifer L CTR USAF AFMC AFRL/RXBT
  • [Pw_forum] symmetries   Paolo Giannozzi
• [Pw_forum] negative values in XANES (jiayudai)   matteo calandra
  • [Pw_forum] negative values in XANES (jiayudai)   Stefano Baroni
• [Pw_forum] parallel machine   mayank gupta
• [Pw_forum] negative values in XANES   jiayudai
• [Pw_forum] the keyword in the pw.x   archygu
• [Pw_forum] relaxation and TS   Masoud Nahali
• [Pw_forum] negative values in XANES (jiayudai)   matteo calandra
• [Pw_forum] Calculating g-tensor using gipaw   Aurab
  • [Pw_forum] Calculating g-tensor using gipaw   Ari P Seitsonen
• [Pw_forum] EXX on 1D supercells fail   Madan Mithra. L. M

Last message date: Thu Sep 30 21:40:14 CEST 2010
Archived on: Thu Sep 30 21:40:19 CEST 2010

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