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• • [Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed? Axel Kohlmeyer
• [Pw_forum] Rydberg to kJ/mole Eduardo Ariel Menendez Proupin
• [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] About DFPT Caloma Trumica
  • [Pw_forum] About DFPT Paolo Giannozzi
• [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] vc-relax zafar rasheed
  • [Pw_forum] vc-relax Chan-Woo Lee
  • [Pw_forum] vc-relax xirainbow
• [Pw_forum] pseudo-PP suitable for gipaw calculation mohamed makhyoun
• [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] Problem with scf convergence Jonathan Trinastic
  • [Pw_forum] Problem with scf convergence Simon Binnie
  • [Pw_forum] Problem with scf convergence [email protected]
• [Pw_forum] phonon dos bhabya sahoo
  • [Pw_forum] Fwd: phonon dos bhabya sahoo
  • [Pw_forum] Fwd: phonon dos bhabya sahoo
  • [Pw_forum] Phonon DOS Marco Fronzi
  • [Pw_forum] Phonon DOS Paolo Giannozzi
• [Pw_forum] Calculation of dynamical matrices henry odhiambo
  • [Pw_forum] Calculation of dynamical matrices Paolo Giannozzi
• [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] 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] e-p calculation on customised K-mesh Ajit Vallabhaneni
  • [Pw_forum] e-p calculation on customised K-mesh Paolo Giannozzi
• [Pw_forum] Phonon calculation takes much time................... zafar rasheed
• [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] Relaxed atomic positions Payam Norouzzadeh
• [Pw_forum] Thank you (a question about total force) Payam Norouzzadeh
• [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] 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] Definition of the electron-phonon coupling matrix element Alex Kutana
  • [Pw_forum] Definition of the electron-phonon coupling matrix element Paolo Giannozzi
• [Pw_forum] A question about Total force Payam Norouzzadeh
  • [Pw_forum] A question about Total force Guido Fratesi
• [Pw_forum] Correct phonon branch connection patch to espresso-4.3.1/PH/matdyn.f90 Takeshi NISHIMATSU
• [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] 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] error during testing gipaw.x mohamed makhyoun
• [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] 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] 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] read_pseudo_gipaw : error # 1 mohamed makhyoun
  • [Pw_forum] read_pseudo_gipaw : error # 1 Davide Ceresoli
• [Pw_forum] GUI Sohail Ahmad
  • [Pw_forum] GUI 程迎春
• [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] submission satyananda chab
  • [Pw_forum] submission Mahmoud Payami
• [Pw_forum] relaxation with vc-relax Payam Norouzzadeh
  • [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] PBESOL Suza W
• [Pw_forum] Raman intensity unit Fen Hong
  • [Pw_forum] Raman intensity unit Paolo Giannozzi
• [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] R: Re: HSE from PBE in an atomic system [email protected]
• [Pw_forum] HSE from PBE in an atomic system [email protected]
  • [Pw_forum] HSE from PBE in an atomic system Paolo Giannozzi
• [Pw_forum] Dos & PDOS Farzad Molani
  • [Pw_forum] Dos & PDOS Paolo Giannozzi
  • [Pw_forum] Dos & PDOS Farzad Molani
• [Pw_forum] about the pwcond.x calculation pankaj sahota
  • [Pw_forum] about the pwcond.x calculation Alex Smogunov
• [Pw_forum] About k-points Giovani Faccin
  • [Pw_forum] About k-points Lorenzo Paulatto
  • [Pw_forum] About k-points Giovani Faccin
• [Pw_forum] (101) surface of Anatase mohaddeseh abbasnejad
  • [Pw_forum] (101) surface of Anatase Mahmoud Payami
• [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] visualization mateusz dulski
  • [Pw_forum] visualization Paolo Giannozzi
  • [Pw_forum] visualization Giuseppe Mattioli
• [Pw_forum] coutour plot MAPASHA REFILWE
  • [Pw_forum] coutour plot Paolo Giannozzi
• [Pw_forum] run pwgui samad zare
  • [Pw_forum] run pwgui Tone Kokalj
• [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] 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] Spin polarization of Graphene Rahen Badsha
• [Pw_forum] scf cslculation somayeh fotohi
  • [Pw_forum] scf cslculation Abdeslam HOUARI
  • [Pw_forum] scf cslculation Paolo Giannozzi
• [Pw_forum] Convergene of Magnetic moment is very slow [email protected]
  • [Pw_forum] Convergene of Magnetic moment is very slow Giovani Faccin
• [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] Dr. Eyvaz Isaev zafar rasheed
• [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] regret from death of Prof. Eyvaz Isaev peyman amiri
  • [Pw_forum] Eyvaz Isaev Amit Harode
  • [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] Eyvaz Isaev Seyed Javad Hashemifar
  • [Pw_forum] Eyvaz Isaev Eduardo Ariel Menendez Proupin
• [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] [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] surface embedding method to simulate semi-infinite system Peter Wang
• [Pw_forum] (010) surface of Anatase mohaddeseh abbasnejad
• [Pw_forum] scf calculations somayeh fotohi
  • [Pw_forum] Re : scf calculations Abdeslam Houari
• [Pw_forum] R: Re: "vc_relax" + "nscf" calculation [email protected]
  • [Pw_forum] R: Re: "vc_relax" + "nscf" calculation [email protected]
  • [Pw_forum] R: Re: "vc_relax" + "nscf" calculation Paolo Giannozzi
• [Pw_forum] R: Re: "vc_relax" + "nscf" calculation [email protected]
  • [Pw_forum] "vc_relax" + "nscf" calculation Paolo Giannozzi
• [Pw_forum] "vc_relax" + "nscf" calculation [email protected]
• [Pw_forum] Units of energy in elphon.f90 Ajit Vallabhaneni
  • [Pw_forum] Units of energy in elphon.f90 Paolo Giannozzi
• [Pw_forum] Hartree calculations for small molecules Seyed Javad Hashemifar
  • [Pw_forum] Hartree calculations for small molecules Giuseppe Mattioli
  • [Pw_forum] Hartree calculations for small molecules Paolo Giannozzi
  • [Pw_forum] Hartree calculations for small molecules Seyed Javad Hashemifar
• [Pw_forum] end of self consistent calculation. No convergence has been achieved zafar rasheed
  • [Pw_forum] end of self consistent calculation. No convergence has been achieved Paolo Giannozzi
• [Pw_forum] a question about converter FHI_pp to UPF Battal Gazi YALÇIN
  • [Pw_forum] a question about converter FHI_pp to UPF Mahmoud Payami
  • [Pw_forum] a question about converter FHI_pp to UPF Paolo Giannozzi
• [Pw_forum] R&G space division vs K-point division Mahmoud Payami
  • [Pw_forum] R&G space division vs K-point division Paolo Giannozzi
  • [Pw_forum] R&G space division vs K-point division Mahmoud Payami Shabestari
  • [Pw_forum] R&G space division vs K-point division Mahmoud Payami Shabestari
• [Pw_forum] R: Re: WZ and ZB ZnO [email protected]
• [Pw_forum] WZ and ZB ZnO [email protected]
• [Pw_forum] scf calculation somayeh fotohi
  • [Pw_forum] scf calculation Chan-Woo Lee
• [Pw_forum] PROBLEM RUNNING QE PARALLEL JOB michael onyeaju

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