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• • [Pw_forum] phonon dispersion from IFC Stefano Baroni
  • [Pw_forum] phonon dispersion from IFC Claudio Perottoni
• [Pw_forum] SCF errror with the converted pseudopotential lucking-pine
  • [Pw_forum] SCF errror with the converted pseudopotential Paolo Giannozzi
  • [Pw_forum] SCF errror with the converted pseudopotential lucking-pine
  • [Pw_forum] SCF errror with the converted pseudopotential GAO Zhe
• [Pw_forum] hybrid functionals and vc-relax calculations Giuseppe Mattioli
• [Pw_forum] LDA norm-conserving pseudopotential for Fe [email protected]
  • [Pw_forum] LDA norm-conserving pseudopotential for Fe Ren PJ
  • [Pw_forum] LDA norm-conserving pseudopotential for Fe Giuseppe Mattioli
  • [Pw_forum] LDA norm-conserving pseudopotential for Fe [email protected]
  • [Pw_forum] LDA norm-conserving pseudopotential for Fe Paolo Giannozzi
  • [Pw_forum] LDA norm-conserving pseudopotential for Fe [email protected]
• [Pw_forum] charge density calculation with plotrho.x Tram Bui
  • [Pw_forum] charge density calculation with plotrho.x Lorenzo Paulatto
• [Pw_forum] PHONON ON GRID mayank gupta
  • [Pw_forum] PHONON ON GRID Lorenzo Paulatto
• [Pw_forum] Doubt in spin-orbit coupling results Padmaja Patnaik
  • [Pw_forum] Doubt in spin-orbit coupling results Gabriele Sclauzero
  • [Pw_forum] Doubt in spin-orbit coupling results Padmaja Patnaik
  • [Pw_forum] Doubt in spin-orbit coupling results Gabriele Sclauzero
• [Pw_forum] relaxation of the 60 C atom supercell Elie Moujaes
  • [Pw_forum] relaxation of the 60 C atom supercell mohnish pandey
• [Pw_forum] Sulfur, Nitrogen, Chlorine PBE Norm-Conserving PP "Kacper Drużbicki"
  • [Pw_forum] ODP: Sulfur, Nitrogen, Chlorine PBE Norm-Conserving PP "Kacper Drużbicki"
• [Pw_forum] How to modify code and recompile? [email protected]
  • [Pw_forum] How to modify code and recompile? Giovani Faccin
• [Pw_forum] Installation failure Onaiwu Kingsley Nosa
  • [Pw_forum] Installation failure Paolo Giannozzi
• [Pw_forum] Phonones Eric Germaneau
  • [Pw_forum] Phonones Eric Germaneau
• [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. "Kacper Drużbicki"
  • [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. Paolo Giannozzi
  • [Pw_forum] ODP: Re: Ph.x problem. No results. Wrong irreducible representations number. "Kacper Drużbicki"
  • [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. Paolo Giannozzi
  • [Pw_forum] ODP: Re: Ph.x problem. No results. Wrong irreducible representations number. "Kacper Drużbicki"
• [Pw_forum] results of vc-relax Elie Moujaes
  • [Pw_forum] results of vc-relax Paolo Giannozzi
  • [Pw_forum] results of vc-relax Elie Moujaes
• [Pw_forum] local density of states on parallel planes pari shok
  • [Pw_forum] local density of states on parallel planes Gabriele Sclauzero
• [Pw_forum] Interatomic force constant Stefano Baroni
  • [Pw_forum] Interatomic force constant Onaiwu Kingsley Nosa
• [Pw_forum] Is it necessary to clear outdir / wfcdir WF
  • [Pw_forum] Is it necessary to clear outdir / wfcdir Gabriele Sclauzero
• [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? WF
  • [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? GAO Zhe
  • [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? Paolo Giannozzi
  • [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation? WF
• [Pw_forum] Pseudopotential for Terbium in upf file Chengyang Li
  • [Pw_forum] Pseudopotential for Terbium in upf file GAO Zhe
  • [Pw_forum] Pseudopotential for Terbium in upf file Chengyang Li
  • [Pw_forum] Pseudopotential for Terbium in upf file Emine Kucukbenli
  • [Pw_forum] Pseudopotential for Terbium in upf file Chengyang Li
• [Pw_forum] problems in vc relax Elie Moujaes
• [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Xijun Wang
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Xijun Wang
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax Xijun Wang
  • [Pw_forum] problems with vc-relax Elie Moujaes
  • [Pw_forum] problems with vc-relax WF
  • [Pw_forum] problems with vc-relax Xijun Wang
  • [Pw_forum] problems with vc-relax Elie Moujaes
• [Pw_forum] All electron calculation Tram Bui
  • [Pw_forum] All electron calculation Gabriele Sclauzero
  • [Pw_forum] All electron calculation GAO Zhe
  • [Pw_forum] All electron calculation Jan Felix Binder
• [Pw_forum] QHA calculated error ! lucking-pine
  • [Pw_forum] Fwd: QHA calculated error ! lucking-pine
  • [Pw_forum] QHA calculated error ! lucking-pine
  • [Pw_forum] QHA calculated error ! Paolo Giannozzi
  • [Pw_forum] QHA calculated error ! lucking-pine
  • [Pw_forum] QHA calculated error ! Paolo Giannozzi
  • [Pw_forum] QHA calculated error ! lucking-pine
• [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Xijun Wang
  • [Pw_forum] How to speed up gipaw? Ren PJ
  • [Pw_forum] How to speed up gipaw? Davide Ceresoli
  • [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Paolo Giannozzi
  • [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Xijun Wang
  • [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Paolo Giannozzi
  • [Pw_forum] ATOMIC_POSITIONS after 'final coordinates' Xijun Wang
• [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Daniel Lima
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Paolo Giannozzi
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Emine Kucukbenli
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Eugenio Furtado
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Davide Ceresoli
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Gregor Mali
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Emine Kucukbenli
  • [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Gregor Mali
• [Pw_forum] heat capacity Nafise Rezaei
• [Pw_forum] To Dr. Michele Lazzeri about write electron-phonon coupling matrix Ying Sun
• [Pw_forum] Quarry about special k-point partha sarathi ghosh
• [Pw_forum] Convergence problem with spin-polarized BLYP lfhuang
• [Pw_forum] Segmentation fault with pp.x vkarthik
  • [Pw_forum] Segmentation fault with pp.x Changru Ma
• [Pw_forum] xspectra calculation error bamidele ibrahim
  • [Pw_forum] XSpectra calculation error Matteo Calandra
  • [Pw_forum] xspectra calculation error sreekar guddeti
• [Pw_forum] wfc files: heavy I/O, handling for restarts Michael Sternberg
  • [Pw_forum] wfc files: heavy I/O, handling for restarts Paolo Giannozzi
  • [Pw_forum] wfc files: heavy I/O, handling for restarts S. K. S.
  • [Pw_forum] wfc files: heavy I/O, handling for restarts Paolo Giannozzi
  • [Pw_forum] wfc files: heavy I/O, handling for restarts S. K. S.
• [Pw_forum] Pw_forum Digest, Vol 51, Issue 7 Sanjay D. Gupta
• [Pw_forum] about PWscf PP generation Robin H
  • [Pw_forum] about PWscf PP generation GAO Zhe
  • [Pw_forum] about PWscf PP generation Robin H
  • [Pw_forum] about PWscf PP generation Paolo Giannozzi
  • [Pw_forum] about PWscf PP generation Robin H
  • [Pw_forum] about PWscf PP generation Emine Kucukbenli
• [Pw_forum] Problem while Reading celldm of triclinic structure Sanjay D. Gupta
  • [Pw_forum] Problem while Reading celldm of triclinic structure Paolo Giannozzi
• [Pw_forum] cannot allocate memory error Elie Moujaes
  • [Pw_forum] cannot allocate memory error Duy Le
  • [Pw_forum] cannot allocate memory error Elie Moujaes
  • [Pw_forum] cannot allocate memory error Stefano Baroni
• [Pw_forum] Method of computing static dielectric constant of materials Rajan Pandey
  • [Pw_forum] Method of computing static dielectric constant of materials Rajan Pandey
  • [Pw_forum] problems with the new Martins-Troullier O pseudo [email protected]
  • [Pw_forum] problems with the new Martins-Troullier O pseudo Paolo Giannozzi
• [Pw_forum] total force and number of k-points Elie Moujaes
  • [Pw_forum] total force and number of k-points Paolo Giannozzi
  • [Pw_forum] total force and number of k-points Elie Moujaes
• [Pw_forum] How to realize the parallel calculation? 陶鹏
  • [Pw_forum] How to realize the parallel calculation? xirainbow
  • [Pw_forum] How to realize the parallel calculation? Emine Kucukbenli
• [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Ari P Seitsonen
  • [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Duy Le
  • [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Emine Kucukbenli
  • [Pw_forum] Lattice constants with vdW-DF/vdW-DF2 Emine Kucukbenli
• [Pw_forum] Wannier90, question about units in seedname_hr.dat Julen Ibanez Azpiroz
  • [Pw_forum] Wannier90, question about units in seedname_hr.dat Paolo Giannozzi
  • [Pw_forum] Wannier90, question about units in seedname_hr.dat Julen Ibanez Azpiroz
• [Pw_forum] K POINTS mayank gupta
  • [Pw_forum] Phonons of molecular crystal Guntram Schmidt
  • [Pw_forum] Phonons of molecular crystal Stefano de Gironcoli
  • [Pw_forum] Phonons of molecular crystal Guntram Schmidt
  • [Pw_forum] K POINTS Paolo Giannozzi
  • [Pw_forum] k points Caroline
  • [Pw_forum] k points Axel Kohlmeyer
  • [Pw_forum] k points Giovanni Cantele
  • [Pw_forum] k points Caroline
  • [Pw_forum] k points Axel Kohlmeyer
• [Pw_forum] radius of integration for local charge and magnetization sreekar guddeti
• [Pw_forum] problems with STM simulation Cao TF
  • [Pw_forum] problems with STM simulation Paolo Giannozzi
• [Pw_forum] Problem with Bi2Se3 SCF converge WF
  • [Pw_forum] Problem with Bi2Se3 SCF converge mohnish pandey
  • [Pw_forum] Problem with Bi2Se3 SCF converge WF
  • [Pw_forum] Problem with Bi2Se3 SCF converge mohnish pandey
• [Pw_forum] Installation ERROR [email protected]
  • [Pw_forum] Installation ERROR Paolo Giannozzi
  • [Pw_forum] Installation ERROR Raghuvir R S Pissurlenkar
  • [Pw_forum] Installation ERROR Lorenzo Paulatto
  • [Pw_forum] Installation error Shyam Khambholja
  • [Pw_forum] Installation error Giuseppe Mattioli
• [Pw_forum] problem in lderiv curves for Sr karan deep
  • [Pw_forum] problem in lderiv curves for Sr Lorenzo Paulatto
• [Pw_forum] Problem with band structure computation jchuang
  • [Pw_forum] Problem with band structure computation Paolo Giannozzi
• [Pw_forum] Job openings at ICHEC Ivan Girotto
• [Pw_forum] Problem with Ni/Ni3Al system [email protected]
  • [Pw_forum] Problem with Ni/Ni3Al system Gabriele Sclauzero
  • [Pw_forum] Problem with Ni/Ni3Al system [email protected]
  • [Pw_forum] Problem with Ni/Ni3Al system Eugenio Furtado
  • [Pw_forum] Problem with Ni/Ni3Al system [email protected]
  • [Pw_forum] Problem with Ni/Ni3Al system [email protected]
  • [Pw_forum] Problem with Ni/Ni3Al system Gabriele Sclauzero
  • [Pw_forum] Problem with Ni/Ni3Al system [email protected]
• [Pw_forum] input of B10 STRUCTURE bhabya sahoo
  • [Pw_forum] input of B10 STRUCTURE Wang Di
  • [Pw_forum] input of B10 STRUCTURE bhabya sahoo
  • [Pw_forum] input of B10 STRUCTURE bhabya sahoo
  • [Pw_forum] input of B10 STRUCTURE Wang Di
• [Pw_forum] Problem with symmetry in Body center tetragonal structure mayank gupta
  • [Pw_forum] Problem with symmetry in Body center tetragonal structure Paolo Giannozzi
• [Pw_forum] problem in lderiv curves for Sr pseuopotentials karan deep
  • [Pw_forum] problem in lderiv curves for Sr pseuopotentials Lorenzo Paulatto
• [Pw_forum] Phonon: "data-file.#iq.#irr.xml" files Antonio
  • [Pw_forum] Phonon: "data-file.#iq.#irr.xml" files Lorenzo Paulatto
  • [Pw_forum] Phonon: "data-file.#iq.#irr.xml" files Antonio
• [Pw_forum] The number of bands increases with c-axial jchuang
  • [Pw_forum] The number of bands increases with c-axial sreekar guddeti
  • [Pw_forum] The number of bands increases with c-axial Stefano Baroni
• [Pw_forum] sample_bias of STM simulation Cao TF
  • [Pw_forum] sample_bias of STM simulation Mohsen Modaresi
  • [Pw_forum] sample_bias of STM simulation Gabriele Sclauzero
• [Pw_forum] Raman Spectra of Molecular Crystals "Kacper Drużbicki"
  • [Pw_forum] Raman Spectra of Molecular Crystals xirainbow
• [Pw_forum] error in epsilon.x calculation Mahdi Faqieh nasiri
  • [Pw_forum] error in epsilon.x calculation Mohsen Modaresi

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