January 2012 Archives by thread

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Starting: Mon Jan 2 05:51:36 CET 2012
Ending: Tue Jan 31 22:21:22 CET 2012
Messages: 251

• [Pw_forum] Fwd: beta tin structure   bhabya sahoo
  • [Pw_forum] Fwd: beta tin structure   bhabya sahoo
    • [Pw_forum] Fwd: beta tin structure   Mike Mehl
• [Pw_forum] Negative phonon frequencies in SiO_2   Гриша Гончаровский
  • [Pw_forum] Negative phonon frequencies in SiO_2   IYAD AL-QASIR
• [Pw_forum] how to treat free electron gas, especially how to setup input file   Jun Liu
  • [Pw_forum] how to treat free electron gas, especially how to setup input file   Stefano Baroni
  • [Pw_forum] how to treat free electron gas, especially how to setup input file   Lorenzo Paulatto
    • [Pw_forum] how to treat free electron gas, especially how to setup input file   Paolo Giannozzi
• [Pw_forum] pwscf: constrained total magnetic moment   German Samolyuk
  • [Pw_forum] pwscf: constrained total magnetic moment   Gabriele Sclauzero
    • [Pw_forum] pwscf: constrained total magnetic moment   German Samolyuk
• [Pw_forum] error on the pseudo wavefunction   Tram Bui
  • [Pw_forum] error on the pseudo wavefunction   Ari P Seitsonen
    • [Pw_forum] error on the pseudo wavefunction   Tram Bui
• [Pw_forum] beta tin structure   bhabya sahoo
  • [Pw_forum] beta tin structure   Mike Mehl
• [Pw_forum] Pw_forum Digest, Vol 55, Issue 4   Jun Liu
  • [Pw_forum] Pw_forum Digest, Vol 55, Issue 4   Stefano Baroni
• [Pw_forum] phonons in espresso   bhabya sahoo
• [Pw_forum] pwcond diff leads with some shift in space   Gabriele Sclauzero
• [Pw_forum] bct   bhabya sahoo
• [Pw_forum] orthogonality of phonon eigenvectors?   Paolo Giannozzi
  • [Pw_forum] orthogonality of phonon eigenvectors?   Suza W
• [Pw_forum] Space groups   Payam Norouzzadeh
  • [Pw_forum] Space groups   Paolo Giannozzi
• [Pw_forum] phonon dispersion issue   Éric Germaneau
  • [Pw_forum] phonon dispersion issue   Paolo Giannozzi
  • [Pw_forum] phonon dispersion issue   Éric Germaneau
• [Pw_forum] d orbital order   Hanghui Chen
  • [Pw_forum] d orbital order   Matteo Cococcioni
• [Pw_forum] Can ph.x use 'cg' diagonalization?   GAO Zhe
  • [Pw_forum] Can ph.x use 'cg' diagonalization?   Paolo Giannozzi
    • [Pw_forum] Can ph.x use 'cg' diagonalization?   GAO Zhe
• [Pw_forum] Atomic position for Ni-Al alloy with BCC structure   Paul Funso
  • [Pw_forum] Atomic position for Ni-Al alloy with BCC structure   Michael Mehl
  • [Pw_forum] Atomic position for Ni-Al alloy with BCC structure   bamidele ibrahim
• [Pw_forum] What is the difference between Q points mesh and k points mesh   Caloma Trumica
  • [Pw_forum] What is the difference between Q points mesh and k points mesh   Paolo Giannozzi
    • [Pw_forum] What is the difference between Q points mesh and k points mesh   Stefano Baroni
• [Pw_forum] Understanding Co psp (by Dr. Andrea Dal Corso) from QE website   Chan-Woo Lee
  • [Pw_forum] Understanding Co psp (by Dr. Andrea Dal Corso) from QE website   Paolo Giannozzi
    • [Pw_forum] Understanding Co psp (by Dr. Andrea Dal Corso) from QE website   Chan-Woo Lee
      • [Pw_forum] Understanding Co psp (by Dr. Andrea Dal Corso) from QE website   Paolo Giannozzi
• [Pw_forum] Too low speed of sound in quartz   Гриша Гончаровский
  • [Pw_forum] Too low speed of sound in quartz   Stefano Baroni
• [Pw_forum] phonon frenquecies convergences   hichem bouderba
  • [Pw_forum] phonon frenquecies convergences   Paolo Giannozzi
    • [Pw_forum] phonon frenquecies convergences   hichem bouderba
    • [Pw_forum] phonon frenquecies convergences   Stefano Baroni
      • [Pw_forum] phonon frenquecies convergences   hichem bouderba
• [Pw_forum] (no subject)   debbichi mourad
  • [Pw_forum] (no subject)   Ali Tavana
    • [Pw_forum] VCA (was: no subject)   Paolo Giannozzi
      • [Pw_forum] VCA (was: no subject)   Ali Tavana
  • [Pw_forum] LDA+U.   debbichi mourad
    • [Pw_forum] LDA+U.   Giuseppe Mattioli
      • [Pw_forum] LDA+U.   Mojtaba Rahimi
  • [Pw_forum] (no subject)   bhabya sahoo
    • [Pw_forum] (no subject)   bhabya sahoo
    • [Pw_forum] (no subject)   Paolo Giannozzi
  • [Pw_forum] (no subject)   giacsport at libero.it
    • [Pw_forum] (no subject)   Layla Martin-Samos
• [Pw_forum] problem of installation make: *** [libiotk] Error 2   sufyan
  • [Pw_forum] problem of installation make: *** [libiotk] Error 2   Paolo Giannozzi
    • [Pw_forum] problem of installation make: *** [libiotk] Error 2   sufyan
      • [Pw_forum] problem of installation make: *** [libiotk] Error 2   Paolo Giannozzi
      • [Pw_forum] problem of installation make: *** [libiotk] Error 2   sufyan
      • [Pw_forum] problem of installation make: *** [libiotk] Error 2   Paolo Giannozzi
      • [Pw_forum] problem of installation make: *** [libiotk] Error 2   sufyan
• [Pw_forum] Relation between cell magnetization and atomic magnetization in the non-collinear calculation   Giovani Faccin
  • [Pw_forum] Relation between cell magnetization and atomic magnetization in the non-collinear calculation   Guido Fratesi
    • [Pw_forum] Relation between cell magnetization and atomic magnetization in the non-collinear calculation   Giovani Faccin
• [Pw_forum] bct_cell   bhabya sahoo
• [Pw_forum] md calculation and constraints in 4.3.2   Jean-Roch Huntzinger
  • [Pw_forum] md calculation and constraints in 4.3.2   Paolo Giannozzi
    • [Pw_forum] md calculation and constraints in 4.3.2   Jean-Roch Huntzinger
      • [Pw_forum] md calculation and constraints in 4.3.2   Paolo Giannozzi
    • [Pw_forum] MD calculation, and Conjugate Gradient?   Abdeslam Houari
      • [Pw_forum] MD calculation, and Conjugate Gradient?   Yunpeng Wang
      • [Pw_forum] MD calculation, and Conjugate Gradient?   Abdeslam Houari
      • [Pw_forum] MD calculation, and Conjugate Gradient?   Paolo Giannozzi
      • [Pw_forum] MD calculation, and Conjugate Gradient?   Abdeslam Houari
      • [Pw_forum] MD calculation, and Conjugate Gradient?   Paolo Giannozzi
• [Pw_forum] k-point   Rahen Badsha
  • [Pw_forum] k-point   Peter Wang
• [Pw_forum] query on k-points with MP   Ajit Vallabhaneni
  • [Pw_forum] query on k-points with MP   Peter Wang
    • [Pw_forum] query on k-points with MP   Stefano Baroni
• [Pw_forum] problem with kband and kpoint in pp.x   Farzad Molani
  • [Pw_forum] problem with kband and kpoint in pp.x   GAO Zhe
  • [Pw_forum] quantum espresso   somayeh fotohi
    • [Pw_forum] quantum espresso   Luis Antonio Leon Martinez
• [Pw_forum] scaling of turbo_lanczos.x   Eduardo Ariel Menendez Proupin
  • [Pw_forum] scaling of turbo_lanczos.x   Eduardo Ariel Menendez Proupin
  • [Pw_forum] scaling of turbo_lanczos.x   Paolo Giannozzi
  • [Pw_forum] scaling of turbo_lanczos.x   Simon Binnie
  • [Pw_forum] scaling of turbo_lanczos.x   dario rocca
• [Pw_forum] charge-density.dat file missing after SCF calculations   Kiss, Ioan
  • [Pw_forum] charge-density.dat file missing after SCF calculations   Paolo Giannozzi
• [Pw_forum] sn calculation   bhabya sahoo
  • [Pw_forum] Fwd: sn calculation   bhabya sahoo
    • [Pw_forum] RPA by PWscf   Yunpeng Wang
      • [Pw_forum] RPA by PWscf   Yunpeng Wang
• [Pw_forum] help   leila messad
• [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Goranka Bilalbegovic
  • [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Paolo Giannozzi
    • [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Goranka Bilalbegovic
      • [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Paolo Giannozzi
      • [Pw_forum] example09 segfault - ramtns used but not allocated in dynmatrix.f90   Goranka Bilalbegovic
• [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   Caloma Trumica
  • [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   Axel Kohlmeyer
    • [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   Caloma Trumica
      • [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   Lorenzo Paulatto
      • [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   Caloma Trumica
      • [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   GAO Zhe
      • [Pw_forum] Which subroutine is related to the atomic displacement in DFPT   Paolo Giannozzi
• [Pw_forum] SCF Convergence problem in all-electron calculation of ld1.x   WF
  • [Pw_forum] SCF Convergence problem in all-electron calculation of ld1.x   Paolo Giannozzi
• [Pw_forum] pressure   bhabya sahoo
  • [Pw_forum] pressure   Lorenzo Paulatto
    • [Pw_forum] pressure   bhabya sahoo
      • [Pw_forum] pressure   Lorenzo Paulatto
  • [Pw_forum] pressure   Axel Kohlmeyer
• [Pw_forum] Fwd: postdoc position at Nova Gorica   Layla Martin-Samos
• [Pw_forum] RPA+EXX in PWscf   Peter Wang
  • [Pw_forum] RPA+EXX in PWscf   Axel Kohlmeyer
    • [Pw_forum] RPA+EXX in PWscf   Peter Wang
      • [Pw_forum] RPA+EXX in PWscf   Abdeslam Houari
      • [Pw_forum] RPA+EXX in PWscf   Stefano de Gironcoli
  • [Pw_forum] RPA+EXX in PWscf   Paolo Giannozzi
• [Pw_forum] atom positions in terms of alat   Payam Norouzzadeh
  • [Pw_forum] atom positions in terms of alat   Peter Wang
• [Pw_forum] Ewald and Coulomb   jiayudai
  • [Pw_forum] Ewald and Coulomb   Yunpeng Wang
  • [Pw_forum] Ewald and Coulomb   jiayudai
    • [Pw_forum] Ewald and Coulomb   Peter Wang
    • [Pw_forum] Ewald and Coulomb   Axel Kohlmeyer
  • [Pw_forum] Ewald and Coulomb   jiayudai
    • [Pw_forum] Ewald and Coulomb   Axel Kohlmeyer
• [Pw_forum] ph.x, q2r.x and low symmetries   W2AGZ
  • [Pw_forum] ph.x, q2r.x and low symmetries   Paolo Giannozzi
    • [Pw_forum] ph.x, q2r.x and low symmetries   W2AGZ
      • [Pw_forum] ph.x, q2r.x and low symmetries   W2AGZ
• [Pw_forum] query on fermi energy   Ajit Vallabhaneni
  • [Pw_forum] query on fermi energy   Peter Wang
    • [Pw_forum] query on fermi energy   Ajit Vallabhaneni
      • [Pw_forum] query on fermi energy   Peter Wang
      • [Pw_forum] query on fermi energy   Nicola Marzari
      • [Pw_forum] query on fermi energy   Ajit Vallabhaneni
      • [Pw_forum] query on fermi energy   Paolo Giannozzi
      • [Pw_forum] query on fermi energy   Ajit Vallabhaneni
      • [Pw_forum] query on fermi energy   Paolo Giannozzi
      • [Pw_forum] query on fermi energy   Ajit Vallabhaneni
      • [Pw_forum] query on fermi energy   Paolo Giannozzi
• [Pw_forum] distinguish between the isotopes of an element   Mahdi Faghih nasiri
  • [Pw_forum] distinguish between the isotopes of an element   mohnish pandey
  • [Pw_forum] distinguish between the isotopes of an element   Paolo Giannozzi
  • [Pw_forum] distinguish between the isotopes of an element   Stefano de Gironcoli
    • [Pw_forum] distinguish between the isotopes of an element   mohnish pandey
      • [Pw_forum] distinguish between the isotopes of an element   Stefano Baroni
• [Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images   Torstein Fjermestad
  • [Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images   Layla Martin-Samos
    • [Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images   Torstein Fjermestad
      • [Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images   Paolo Giannozzi
      • [Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images   Torstein Fjermestad
      • [Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images   Paolo Giannozzi
• [Pw_forum] vibrational energy   bhabya sahoo
  • [Pw_forum] vibrational energy   bhabya sahoo
    • [Pw_forum] Fwd: vibrational energy   bhabya sahoo
• [Pw_forum] Dynamic polarizability of C60   anne etindele
  • [Pw_forum] Dynamic polarizability of C60   Axel Kohlmeyer
  • [Pw_forum] Dynamic polarizability of C60   Eduardo Ariel Menendez Proupin
  • [Pw_forum] Dynamic polarizability of C60   anne etindele
  • [Pw_forum] Dynamic polarizability of C60   Eduardo Ariel Menendez Proupin
• [Pw_forum] potential units   Antonio Aliano
  • [Pw_forum] potential units   Antonio Aliano
    • [Pw_forum] potential units   Paolo Giannozzi
      • [Pw_forum] potential units   Antonio Aliano
      • [Pw_forum] minimizing traffic on the pw_forum list   Nicola Marzari
      • [Pw_forum] minimizing traffic on the pw_forum list   Paolo Giannozzi
• [Pw_forum] electron-phonon calculation with spin-polarization   IYAD AL-QASIR
• [Pw_forum] PWgui   sampath kumar
  • [Pw_forum] PWgui   Jean-Roch Huntzinger
  • [Pw_forum] PWgui   Tone Kokalj
• [Pw_forum] Transformation of a tensor from the crystal basis to the cartesian basis and viceversa   Iurii TIMROV
  • [Pw_forum] Transformation of a tensor from the crystal basis to the cartesian basis and viceversa   Paolo Giannozzi
• [Pw_forum] optimisation   bhabya sahoo
  • [Pw_forum] optimisation   Chan-Woo Lee
• [Pw_forum] quantum espresso on SLURM   Elie M
  • [Pw_forum] quantum espresso on SLURM   Paolo Giannozzi
• [Pw_forum] Regarding raman spectra   Kondaiah Samudrala
  • [Pw_forum] Regarding raman spectra   Eduardo Ariel Menendez Proupin
• [Pw_forum] Help with atomic relaxation (Issue with convergence)   Vikas Varshney
  • [Pw_forum] Help with atomic relaxation (Issue with convergence)   giuseppe.mattioli at mlib.ism.cnr.it
    • [Pw_forum] Help with atomic relaxation (Issue with convergence)   Paolo Giannozzi
      • [Pw_forum] Help with atomic relaxation (Issue with convergence)   Vikas Varshney
      • [Pw_forum] Help with atomic relaxation (Issue with convergence)   Guido Fratesi
      • [Pw_forum] Help with atomic relaxation (Issue with convergence)   Vikas Varshney
• [Pw_forum] Electron phonon coupling coefficient calculations   Seungha Shin
• [Pw_forum] Occupied states in XAS   Niharika Joshi
• [Pw_forum] (Niharika Joshi)   Matteo Calandra
• [Pw_forum] Quantum ESPRESSO developers' meeting   Stefano Baroni
• [Pw_forum] unit-cell volume for bcc crystals   Payam Norouzzadeh
• [Pw_forum] different ways to calculate charges on atoms   Hanghui Chen
• [Pw_forum] Errors during calculation of thermal properties using QHA   zafar rasheed
• [Pw_forum] error in relaxation   bhabya sahoo
  • [Pw_forum] Fwd: error in relaxation   bhabya sahoo
• [Pw_forum] Thanks a lot to QE forum for immense help in my first paper   mohnish pandey
• [Pw_forum] xsf to pwscf input   Payam Norouzzadeh
  • [Pw_forum] xsf to pwscf input   Giovani Faccin
  • [Pw_forum] xsf to pwscf input   Tone Kokalj
• [Pw_forum] Fwd: xsf to pwscf input   Gabriele Sclauzero
  • [Pw_forum] Fwd: xsf to pwscf input   Tone Kokalj
• [Pw_forum] from read_namelists : error # 88   giacsport at libero.it
• [Pw_forum] doubt on TDDFPT output   Eduardo Ariel Menendez Proupin
  • [Pw_forum] doubt on TDDFPT output   Simon Binnie
• [Pw_forum] errors during calculation of thermal properties of ZnO using QHA   zafar rasheed
• [Pw_forum] Input file of graphene   Rahen Badsha
• [Pw_forum] problen to run q2r.x code.   bramha pandey
  • [Pw_forum] problen to run q2r.x code.   GAO Zhe
  • [Pw_forum] problen to run q2r.x code.   Paolo Giannozzi
• [Pw_forum] Mysterious Matdyn Message(s)   W2AGZ
  • [Pw_forum] Mysterious Matdyn Message(s)   Axel Kohlmeyer
  • [Pw_forum] Mysterious Matdyn Message(s)   Paolo Giannozzi
• [Pw_forum] Re : Pw_forum Digest, Vol 55, Issue 46   debbichi mourad
• [Pw_forum] Mysterious Matdyn Messages - More   W2AGZ
  • [Pw_forum] Mysterious Matdyn Messages - More   Paolo Giannozzi
• [Pw_forum] hubbard potential   Mojtaba Rahimi
  • [Pw_forum] hubbard potential   Matteo Cococcioni
• [Pw_forum] help regarding fqha.x   bramha pandey
  • [Pw_forum] help regarding fqha.x   GAO Zhe
• [Pw_forum] Requesting for structural details   Kondaiah Samudrala
• [Pw_forum] R: Re: (no subject)   giacsport at libero.it
• [Pw_forum] query on e-ph tutorial   Ajit Vallabhaneni
  • [Pw_forum] query on e-ph tutorial   Paolo Giannozzi
    • [Pw_forum] query on e-ph tutorial   Ajit Vallabhaneni
      • [Pw_forum] query on e-ph tutorial   GAO Zhe
• [Pw_forum] exit status = 129   Asei Aefla
  • [Pw_forum] exit status = 129   Paolo Giannozzi
• [Pw_forum] phonon life time   Tribhuwan Pandey
  • [Pw_forum] phonon life time   Tribhuwan Pandey
• [Pw_forum] multiple-manifold DFT+U on a single atom   Deyu Lu
  • [Pw_forum] multiple-manifold DFT+U on a single atom   Burak Himmetoglu
• [Pw_forum] BEC from DFPT   Сергей Николаев
• [Pw_forum] Negative stress(vacuum) in vc-relax's last scf   Bahadir Altintas
  • [Pw_forum] Negative stress(vacuum) in vc-relax's last scf   Paolo Giannozzi
• [Pw_forum] matdyn input explanation   Bahadir Altintas
  • [Pw_forum] matdyn input explanation   Paolo Giannozzi
• [Pw_forum] NaN values for Tc calculations   Bahadir Altintas
  • [Pw_forum] volume optimization   berber mo

Last message date: Tue Jan 31 22:21:22 CET 2012
Archived on: Wed Feb 28 11:07:28 CET 2018

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