March 2012 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...

Starting: Thu Mar 1 07:38:57 CET 2012
Ending: Sat Mar 31 16:59:02 CEST 2012
Messages: 279

• [Pw_forum] (no subject)   Divya Srivastava
• [Pw_forum] "vc_relax" + "nscf" calculation   giacsport at libero.it
• [Pw_forum] R: Re: "vc_relax" + "nscf" calculation   giacsport at libero.it
  • [Pw_forum] "vc_relax" + "nscf" calculation   Paolo Giannozzi
• [Pw_forum] R: Re: "vc_relax" + "nscf" calculation   giacsport at libero.it
• [Pw_forum] scf calculations   somayeh fotohi
  • [Pw_forum] Re : scf calculations   Abdeslam Houari
• [Pw_forum] R: Re: "vc_relax" + "nscf" calculation   giacsport at libero.it
  • [Pw_forum] R: Re: "vc_relax" + "nscf" calculation   Paolo Giannozzi
• [Pw_forum] (010) surface of Anatase   mohaddeseh abbasnejad
  • [Pw_forum] thermal conductivity   bhabya sahoo
  • [Pw_forum] surface embedding method to simulate semi-infinite system   Peter Wang
• [Pw_forum] [LDA+U] elements in occupation matrix are real number?   Chan-Woo Lee
  • [Pw_forum] [LDA+U] elements in occupation matrix are real number?   Alex Smogunov
• [Pw_forum] Error in using bands_FS.x to get Fermi surface,   Chan-Woo Lee
  • [Pw_forum] Error in using bands_FS.x to get Fermi surface,   GAO Zhe
• [Pw_forum] Eyvaz Isaev   Paolo Giannozzi
  • [Pw_forum] Eyvaz Isaev   Derek Stewart
  • [Pw_forum] Eyvaz Isaev   GAO Zhe
  • [Pw_forum] FW: Eyvaz Isaev   陳 少華
    • [Pw_forum] Eyvaz Isaev   Amit Harode
• [Pw_forum] Hartree calculations for small molecules   Seyed Javad Hashemifar
• [Pw_forum] Dr. Eyvaz Isaev   zafar rasheed
  • [Pw_forum] errors while executing ph.x in parallel computing mode   Elie M
    • [Pw_forum] errors while executing ph.x in parallel computing mode   Paolo Giannozzi
      • [Pw_forum] errors while executing ph.x in parallel computing mode   Elie M
• [Pw_forum] Convergene of Magnetic moment is very slow   ksaha at physics.udel.edu
  • [Pw_forum] Convergene of Magnetic moment is very slow   Giovani Faccin
• [Pw_forum] scf cslculation   somayeh fotohi
  • [Pw_forum] scf cslculation   Abdeslam HOUARI
    • [Pw_forum] scf cslculation   Paolo Giannozzi
• [Pw_forum] Spin polarization of Graphene   Rahen Badsha
• [Pw_forum] Explanation of plotband program   Rahen Badsha
  • [Pw_forum] High symmetry points   Rahen Badsha
    • [Pw_forum] Fw: High symmetry points   Rahen Badsha
      • [Pw_forum] Fermi energy   Rahen Badsha
• [Pw_forum] Electronic structure calculation of graphene as a spintronic material using espresso-4.2)   Rahen Badsha
  • [Pw_forum] Electronic structure calculation of graphene as a spintronic material using espresso-4.2)   Paolo Giannozzi
• [Pw_forum] run pwgui   samad zare
  • [Pw_forum] run pwgui   Tone Kokalj
• [Pw_forum] coutour plot   MAPASHA REFILWE
  • [Pw_forum] coutour plot   Paolo Giannozzi
• [Pw_forum] Eyvaz Isaev   Liang Feng Huang
  • [Pw_forum] Eyvaz Isaev   Mahmoud Payami
    • [Pw_forum] Eyvaz Isaev   Paolo Giannozzi
    • [Pw_forum] Eyvaz Isaev   Stefano Baroni
• [Pw_forum] visualization   mateusz dulski
  • [Pw_forum] visualization   Paolo Giannozzi
  • [Pw_forum] visualization   Giuseppe Mattioli
  • [Pw_forum] Minimization of Energy by fixing lattice parameters and relaxing lattice parameters   Gulcin Kucukdalyan
    • [Pw_forum] Minimization of Energy by fixing lattice parameters and relaxing lattice parameters   Axel Kohlmeyer
• [Pw_forum] (101) surface of Anatase   mohaddeseh abbasnejad
  • [Pw_forum] (101) surface of Anatase   Mahmoud Payami
    • [Pw_forum] Eyvaz Isaev   Seyed Javad Hashemifar
    • [Pw_forum] About k-points   Giovani Faccin
      • [Pw_forum] About k-points   Lorenzo Paulatto
      • [Pw_forum] About k-points   Giovani Faccin
  • [Pw_forum] about the pwcond.x calculation   pankaj sahota
    • [Pw_forum] about the pwcond.x calculation   Alex Smogunov
  • [Pw_forum] Eyvaz Isaev   Eduardo Ariel Menendez Proupin
• [Pw_forum] Dos & PDOS   Farzad Molani
  • [Pw_forum] Dos & PDOS   Paolo Giannozzi
    • [Pw_forum] Dos & PDOS   Farzad Molani
• [Pw_forum] HSE from PBE in an atomic system   giacsport at libero.it
  • [Pw_forum] HSE from PBE in an atomic system   Paolo Giannozzi
• [Pw_forum] R: Re: HSE from PBE in an atomic system   giacsport at libero.it
• [Pw_forum] regret from death of Prof. Eyvaz Isaev   peyman amiri
• [Pw_forum] error in running pw.x in scf mode.   mohamed makhyoun
  • [Pw_forum] error in running pw.x in scf mode.   Paolo Giannozzi
  • [Pw_forum] error in running pw.x in scf mode.   Lorenzo Paulatto
    • [Pw_forum] error in running pw.x in scf mode.   mohamed makhyoun
• [Pw_forum] Raman intensity unit   Fen Hong
  • [Pw_forum] Raman intensity unit   Paolo Giannozzi
  • [Pw_forum] PBESOL   Suza W
• [Pw_forum] relaxation with vc-relax   Payam Norouzzadeh
  • [Pw_forum] relaxation with vc-relax   Paolo Giannozzi
  • [Pw_forum] relaxation with vc-relax   Payam Norouzzadeh
  • [Pw_forum] submission   satyananda chab
    • [Pw_forum] submission   Mahmoud Payami
  • [Pw_forum] relaxation with vc-relax   Payam Norouzzadeh
• [Pw_forum] mathematical method for computing in quantm espresso   F Anis
  • [Pw_forum] mathematical method for computing in quantm espresso   Abdeslam HOUARI
• [Pw_forum] mathematical method for computing in quantm espresso   Eduardo Ariel Menendez Proupin
• [Pw_forum] GUI   Sohail Ahmad
  • [Pw_forum] GUI   程迎春
  • [Pw_forum] band structure   bhabya sahoo
• [Pw_forum] Charge Density   henry odhiambo
  • [Pw_forum] Charge Density   Paolo Giannozzi
• [Pw_forum] read_pseudo_gipaw : error # 1   mohamed makhyoun
  • [Pw_forum] read_pseudo_gipaw : error # 1   Davide Ceresoli
• [Pw_forum] tmp/_ph0/{PREFIX}_qxx directories, safe to remove?   bahadir
  • [Pw_forum] tmp/_ph0/{PREFIX}_qxx directories, safe to remove?   Paolo Giannozzi
    • [Pw_forum] tmp/_ph0/{PREFIX}_qxx directories, safe to remove?   bahadir
• [Pw_forum] LDA+U or GGA+U?   GAO Zhe
  • [Pw_forum] LDA+U or GGA+U?   Lorenzo Paulatto
    • [Pw_forum] LDA+U or GGA+U?   Abdeslam HOUARI
  • [Pw_forum] Average potential calculation and Cs ultra soft pseudo-potential   Tram Bui
    • [Pw_forum] Average potential calculation and Cs ultra soft pseudo-potential   Paolo Giannozzi
• [Pw_forum] error during testing gipaw.x   mohamed makhyoun
• [Pw_forum] Error while using Mg PAW potential given on website   Jonathan Trinastic
  • [Pw_forum] Error while using Mg PAW potential given on website   Paolo Giannozzi
  • [Pw_forum] Error while using Mg PAW potential given on website   Paolo Giannozzi
  • [Pw_forum] Error while using Mg PAW potential given on website   Jonathan Trinastic
  • [Pw_forum] Error while using Mg PAW potential given on website   Paolo Giannozzi
  • [Pw_forum] Error while using Mg PAW potential given on website   Jonathan Trinastic
  • [Pw_forum] Error while using Mg PAW potential given on website   savaş ağduk
• [Pw_forum] problem with neb calculations / openmpi   Torstein Fjermestad
  • [Pw_forum] problem with neb calculations / openmpi   Axel Kohlmeyer
    • [Pw_forum] problem with neb calculations / openmpi   Torstein Fjermestad
    • [Pw_forum] problem with neb calculations / openmpi   Axel Kohlmeyer
    • [Pw_forum] problem with neb calculations / openmpi   Paolo Giannozzi
    • [Pw_forum] problem with neb calculations / openmpi   Torstein Fjermestad
    • [Pw_forum] problem with neb calculations / openmpi   Layla Martin-Samos
    • [Pw_forum] problem with neb calculations / openmpi   Torstein Fjermestad
    • [Pw_forum] problem with neb calculations / openmpi   Layla Martin-Samos
    • [Pw_forum] problem with neb calculations / openmpi   Paolo Giannozzi
• [Pw_forum] Correct phonon branch connection patch to espresso-4.3.1/PH/matdyn.f90   Takeshi NISHIMATSU
  • [Pw_forum] A question about Total force   Payam Norouzzadeh
    • [Pw_forum] A question about Total force   Guido Fratesi
• [Pw_forum] Definition of the electron-phonon coupling matrix element   Alex Kutana
  • [Pw_forum] Definition of the electron-phonon coupling matrix element   Paolo Giannozzi
• [Pw_forum] bands calculation crash   Davide Tiana
  • [Pw_forum] bands calculation crash   Paolo Giannozzi
  • [Pw_forum] bands calculation crash   Davide Tiana
  • [Pw_forum] bands calculation crash   Paolo Giannozzi
  • [Pw_forum] bands calculation crash   Davide Tiana
  • [Pw_forum] bands calculation crash   Paolo Giannozzi
  • [Pw_forum] parallel computation too slow   Elie M
    • [Pw_forum] parallel computation too slow   Paolo Giannozzi
    • [Pw_forum] parallel computation too slow   Elie M
    • [Pw_forum] parallel computation too slow   Axel Kohlmeyer
    • [Pw_forum] parallel computation too slow   Elie M
    • [Pw_forum] parallel computation too slow   Paolo Giannozzi
    • [Pw_forum] parallel computation too slow   Axel Kohlmeyer
  • [Pw_forum] (no subject)   ramzi alaya
    • [Pw_forum] (no subject)   Abdeslam HOUARI
• [Pw_forum] Thank you (a question about total force)   Payam Norouzzadeh
  • [Pw_forum] Relaxed atomic positions   Payam Norouzzadeh
• [Pw_forum] vc-relax "insulators"   crispulo enrique deluque toro
  • [Pw_forum] vc-relax "insulators"   Paolo Giannozzi
    • [Pw_forum] vc-relax "insulators"   crispulo enrique deluque toro
• [Pw_forum] Phonon calculation takes much time...................   zafar rasheed
• [Pw_forum] e-p calculation on customised K-mesh   Ajit Vallabhaneni
  • [Pw_forum] e-p calculation on customised K-mesh   Paolo Giannozzi
    • [Pw_forum] e-p calculation on customised K-mesh   Ajit Vallabhaneni
      • [Pw_forum] e-p calculation on customised K-mesh   Paolo Giannozzi
      • [Pw_forum] e-p calculation on customised K-mesh   Ajit Vallabhaneni
      • [Pw_forum] e-p calculation on customised K-mesh   Axel Kohlmeyer
• [Pw_forum] A question about projwfc.x and pseudopotential generation   fabrizio gala
  • [Pw_forum] A question about projwfc.x and pseudopotential generation   Paolo Giannozzi
• [Pw_forum] Calculation of dynamical matrices   henry odhiambo
  • [Pw_forum] Calculation of dynamical matrices   Paolo Giannozzi
• [Pw_forum] phonon dos   bhabya sahoo
  • [Pw_forum] Fwd: phonon dos   bhabya sahoo
  • [Pw_forum] Fwd: phonon dos   bhabya sahoo
• [Pw_forum] Problem with scf convergence   Jonathan Trinastic
  • [Pw_forum] Problem with scf convergence   Simon Binnie
    • [Pw_forum] Problem with scf convergence   elbuesta at icqmail.com
• [Pw_forum] Starting charge for hydrogen using different PP   PJ Ren
  • [Pw_forum] Starting charge for hydrogen using different PP   PJ Ren
    • [Pw_forum] Starting charge for hydrogen using different PP   Axel Kohlmeyer
• [Pw_forum] e-p calculation on customised K-mesh   Ajit Vallabhaneni
  • [Pw_forum] e-p calculation on customised K-mesh   Paolo Giannozzi
• [Pw_forum] pseudo-PP suitable for gipaw calculation   mohamed makhyoun
• [Pw_forum] vc-relax   Cao TF
  • [Pw_forum] vc-relax   Paolo Giannozzi
    • [Pw_forum] Rydberg to KJ/mole   Guntram Schmidt
    • [Pw_forum] Rydberg to KJ/mole   Tone Kokalj
    • [Pw_forum] Rydberg to KJ/mole - polymorphs   Guntram Schmidt
    • [Pw_forum] Rydberg to KJ/mole - polymorphs   Lorenzo Paulatto
    • [Pw_forum] Rydberg to KJ/mole   Alex Kutana
    • [Pw_forum] Rydberg to KJ/mole   Paolo Giannozzi
    • [Pw_forum] Rydberg to KJ/mole   Guntram Schmidt
    • [Pw_forum] Rydberg to KJ/mole   Paolo Giannozzi
    • [Pw_forum] vc-relax   Paolo Giannozzi
• [Pw_forum] About DFPT   Caloma Trumica
  • [Pw_forum] About DFPT   Paolo Giannozzi
  • [Pw_forum] Fortran compilation error   Elie M
    • [Pw_forum] Fortran compilation error   Axel Kohlmeyer
    • [Pw_forum] Fortran compilation error   Abdeslam HOUARI
    • [Pw_forum] Fortran compilation error   Elie M
  • [Pw_forum] Rydberg to kJ/mole   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed?   Kiss, Ioan
      • [Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed?   Axel Kohlmeyer
    • [Pw_forum] Small value of stress at equilibrium (T=0,P=0)   bramha pandey
  • [Pw_forum] Small value of stress at equilibrium (T=0,P=0)   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Small value of stress at equilibrium (T=0,P=0)   bramha pandey
  • [Pw_forum] error in reading namelist system   Elie M
    • [Pw_forum] error in reading namelist system   Ajit Vallabhaneni
      • [Pw_forum] error in reading namelist system   Elie M
      • [Pw_forum] error in reading namelist system   GAO Zhe
      • [Pw_forum] error in reading namelist system   Paolo Giannozzi
      • [Pw_forum] error in reading namelist system   Elie M
      • [Pw_forum] error in reading namelist system   Paolo Giannozzi
      • [Pw_forum] error in reading namelist system   Gabriele Sclauzero
      • [Pw_forum] error in reading namelist system   GAO Zhe
• [Pw_forum] segmentation fault   satyananda chab
  • [Pw_forum] segmentation fault   Paolo Giannozzi
• [Pw_forum] runtime error for GWW in example01-benzene   Eduardo Ariel Menendez Proupin
  • [Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0   Tram Bui
    • [Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0   Paolo Giannozzi
• [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0)   bramha pandey
  • [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0)   Nicola Marzari
    • [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0)   bramha pandey
    • [Pw_forum] problem with relax convergence in SnO2(110) surface calculation   Victor Meng'wa
      • [Pw_forum] problem with relax convergence in SnO2(110) surface calculation   Paolo Giannozzi
• [Pw_forum] neb error   Ihsan Erikat
  • [Pw_forum] neb error   Paolo Giannozzi
  • [Pw_forum] neb error   Ihsan Erikat
  • [Pw_forum] neb error   Paolo Giannozzi
• [Pw_forum] Problem with QE4.0.3   Ajit Vallabhaneni
  • [Pw_forum] Problem with QE4.0.3   GAO Zhe
    • [Pw_forum] Problem with QE4.0.3   Ajit Vallabhaneni
      • [Pw_forum] Problem with QE4.0.3   Paolo Giannozzi
      • [Pw_forum] Problem with QE4.0.3   Ajit Vallabhaneni
    • [Pw_forum] New version of Quantum ESPRESSO (v0.6, r8825) has been released   Filippo Spiga
  • [Pw_forum] Input for lambda.x execution for el-ph coupling   Elie M
    • [Pw_forum] Input for lambda.x execution for el-ph coupling   bahadir
      • [Pw_forum] Input for lambda.x execution for el-ph coupling   Elie M
      • [Pw_forum] Input for lambda.x execution for el-ph coupling   bahadir
      • [Pw_forum] Input for lambda.x execution for el-ph coupling   Elie M
      • [Pw_forum] Input for lambda.x execution for el-ph coupling   bahadir
      • [Pw_forum] Input for lambda.x execution for el-ph coupling   Elie M
    • [Pw_forum] Problems in running check-pw.x.j   Abhinav 122
      • [Pw_forum] Problems in running check-pw.x.j   Paolo Giannozzi
      • [Pw_forum] Problems in running check-pw.x.j   Carlo Nervi
      • [Pw_forum] Problems in running check-pw.x.j   Lorenzo Paulatto
      • [Pw_forum] Problems in running check-pw.x.j   Paolo Giannozzi
  • [Pw_forum] [xcrysden]:how to get the output structure file as xyz format   chengyu yang
    • [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format   chengyu yang
      • [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format   Giuseppe Mattioli
• [Pw_forum] error two atoms overlap   mohamed makhyoun
  • [Pw_forum] error two atoms overlap   Axel Kohlmeyer
  • [Pw_forum] error two atoms overlap   GAO Zhe
• [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format   Bertrand SITAMTZE
  • [Pw_forum] xcrysden   ramzi alaya
    • [Pw_forum] xcrysden   Tone Kokalj
    • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed   sufyan
      • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed   Nicola Marzari
      • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed   bramha pandey
      • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed   Giuseppe Mattioli
      • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed   bramha pandey
• [Pw_forum] electron-phonon matrix elements for molecules   Marci
• [Pw_forum] test case with structure relaxation   Wei Lai
  • [Pw_forum] test case with structure relaxation   Giuseppe Mattioli
    • [Pw_forum] test case with structure relaxation   Wei Lai
      • [Pw_forum] test case with structure relaxation   Paolo Giannozzi
      • [Pw_forum] test case with structure relaxation   Wei Lai
      • [Pw_forum] test case with structure relaxation   Paolo Giannozzi
      • [Pw_forum] test case with structure relaxation   Wei Lai
      • [Pw_forum] test case with structure relaxation   Wei Lai
      • [Pw_forum] How to get Fermi energy applying electric field   Thaneshwor Kaloni
• [Pw_forum] NEB "spring constants"   Vic Bermudez
  • [Pw_forum] question on electron phonon calculations.   Elie M
• [Pw_forum] How to parallelize phonons   "Alejandro Rébola"
  • [Pw_forum] How to parallelize phonons   William Parker
  • [Pw_forum] How to parallelize phonons   Paolo Giannozzi
  • [Pw_forum] How to parallelize phonons   William Parker
  • [Pw_forum] How to parallelize phonons   Paolo Giannozzi
  • [Pw_forum] How to parallelize phonons   Paolo Giannozzi
  • [Pw_forum] How to parallelize phonons   "Alejandro Rébola"
• [Pw_forum] control of relaxation procedure   Payam Norouzzadeh
• [Pw_forum] How to parallelize phonons   "Alejandro Rébola"
  • [Pw_forum] How to extract high symmetry kpoints from SCF calculation   Olayinka, Samson A.
    • [Pw_forum] How to extract high symmetry kpoints from SCF calculation   Giuseppe Mattioli
      • [Pw_forum] How to extract high symmetry kpoints from SCF calculation   Michael Mehl
• [Pw_forum] regarding to SOC   Thaneshwor Kaloni
  • [Pw_forum] regarding to SOC   ramzi alaya
  • [Pw_forum] error in the phonon calculation for LO-TO splitting with spin-orbit coupling   Luo Xin (IHPC)
  • [Pw_forum] control of relaxation procedure   Payam Norouzzadeh
• [Pw_forum] gam.lines file problem and suggestion for a fix   bahadir
  • [Pw_forum] gam.lines file problem and suggestion for a fix   bahadir
    • [Pw_forum] gam.lines file problem and suggestion for a fix   Paolo Giannozzi
    • [Pw_forum] error in the phonon calculation for LO-TO splitting with spin-orbit coupling   Luo Xin (IHPC)
• [Pw_forum] dual spin polarization   nedya.farisia at ui.ac.id
• [Pw_forum] problem in generating pseudopotential   陶鹏
  • [Pw_forum] problem in generating pseudopotential   陶鹏
• [Pw_forum] How to optimize a hexagonal closest-packed (hcp) structure?   Romeda Azeen
  • [Pw_forum] How to optimize a hexagonal closest-packed (hcp) structure?   Stefano Baroni

Last message date: Sat Mar 31 16:59:02 CEST 2012
Archived on: Sat Mar 31 16:59:09 CEST 2012

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...