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• • [Pw_forum] Band Structure plot Tsogbadrakh N
• [Pw_forum] Pressure along the z-direction of slab loc duong ding
  • [Pw_forum] Pressure along the z-direction of slab Paolo Giannozzi
  • [Pw_forum] Pressure along the z-direction of slab loc duong ding
• [Pw_forum] Non converging neb calculation Korir Kiptiemoi
  • [Pw_forum] Non converging neb calculation Paolo Giannozzi
  • [Pw_forum] Non converging neb calculation Masoud
• [Pw_forum] molecular orbital somayeh fotohi
  • [Pw_forum] tpiba for kpoint somayeh fotohi
  • [Pw_forum] tpiba for kpoint Paolo Giannozzi
• [Pw_forum] point double group error - rhombohedral cell Nicki Frank Hinsche
  • [Pw_forum] point double group error - rhombohedral cell Paolo Giannozzi
  • [Pw_forum] point double group error - rhombohedral cell Andrea Dal Corso
  • [Pw_forum] point double group error - rhombohedral cell Nicki Frank Hinsche
• [Pw_forum] Problem with pp.x and lsign option BARRETEAU Cyrille
  • [Pw_forum] Problem with pp.x and lsign option Paolo Giannozzi
  • [Pw_forum] RE : Problem with pp.x and lsign option BARRETEAU Cyrille
• [Pw_forum] electric field zahra vatankhah
• [Pw_forum] Wannier Function somayeh fotohi
• [Pw_forum] problem of the convergence in surface calculation of magnetic insulator [email protected]
  • [Pw_forum] problem of the convergence in surface calculation of magnetic insulator Sonu Kumar
  • [Pw_forum] problem of the convergence in surface calculation of magnetic insulator Sonu Kumar
• [Pw_forum] error for espresso.5.0.1 using q2r.x Y. L. Li
  • [Pw_forum] error for espresso.5.0.1 using q2r.x [email protected]
• [Pw_forum] pp.x for getting the difference pari shok
  • [Pw_forum] pp.x for getting the difference Paolo Giannozzi
• [Pw_forum] Problem in QE3.0 zafar rasheed
  • [Pw_forum] Problem in QE3.0 Paolo Giannozzi
  • [Pw_forum] Problem in QE3.0 zafar rasheed
  • [Pw_forum] Problem in QE3.0 Giovanni Cantele
  • [Pw_forum] Problem in QE3.0 Filippo Spiga
• [Pw_forum] Phonon dispersion grid Elias Albert
  • [Pw_forum] Phonon dispersion grid Paolo Giannozzi
  • [Pw_forum] Phonon dispersion grid Elias Albert
  • [Pw_forum] Phonon dispersion grid Paolo Giannozzi
• [Pw_forum] Format of .pp postprocessing file Johannes Moeller
  • [Pw_forum] Format of .pp postprocessing file Guido Fratesi
  • [Pw_forum] Format of .pp postprocessing file Johannes Moeller
  • [Pw_forum] Format of .pp postprocessing file Lorenzo Paulatto
• [Pw_forum] problem with dielectric constant evaluation through saw tooth potential jacky even
  • [Pw_forum] problem with dielectric constant evaluation through saw tooth potential Paolo Giannozzi
• [Pw_forum] Plot the density and the wave function of wannier function in cp.x Yi Yao
  • [Pw_forum] Plot the density and the wave function of wannier function in cp.x Paolo Giannozzi
• [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J nuttachai jutong
• [Pw_forum] . Yongsheng Zhang
  • [Pw_forum] . Yongsheng Zhang
• [Pw_forum] fix volume Sakhrawi Taoufek
  • [Pw_forum] fix volume Paolo Giannozzi
  • [Pw_forum] fix volume Sakhrawi Taoufek
  • [Pw_forum] fix volume Pietro Bonfa'
  • [Pw_forum] fix volume Axel Kohlmeyer
• [Pw_forum] SCF calculation don' converge for surface slab patriot pershing
  • [Pw_forum] SCF calculation don' converge for surface slab Paolo Giannozzi
  • [Pw_forum] SCF calculation don' converge for surface slab patriot pershing
  • [Pw_forum] SCF calculation don' converge for surface slab ilyes hamdi
  • [Pw_forum] SCF calculation don' converge for surface slab Lorenzo Paulatto
  • [Pw_forum] SCF calculation don' converge for surface slab patriot pershing
  • [Pw_forum] SCF calculation don' converge for surface slab Lorenzo Paulatto
  • [Pw_forum] SCF calculation don' converge for surface slab Amin Torabi
• [Pw_forum] davcio error #20 while running epw.x in parallel mode Elias Albert
• [Pw_forum] Imaginary phonon frequency Caloma Trumica
  • [Pw_forum] Imaginary phonon frequency Sonu Kumar
  • [Pw_forum] Imaginary phonon frequency Paolo Giannozzi
  • [Pw_forum] S matrix not positive definite [email protected]
• [Pw_forum] incompatible celldm error in charge difference calculation mashiat alaaii
  • [Pw_forum] incompatible celldm error in charge difference calculation Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 65, Issue 27 Thaneshwor Kaloni
• [Pw_forum] Pw_forum Digest, Vol 65, Issue 26 nuttachai jutong
  • [Pw_forum] Pw_forum Digest, Vol 65, Issue 26 Gabriele Sclauzero
  • [Pw_forum] Pw_forum Digest, Vol 65, Issue 26 Burak Himmetoglu
  • [Pw_forum] Pw_forum Digest, Vol 65, Issue 26 Gabriele Sclauzero
• [Pw_forum] error with lelfield calculation Mahdi Faghih nasiri
• [Pw_forum] Pw_forum Digest, Vol 65, Issue 24 nuttachai jutong
  • [Pw_forum] Pw_forum Digest, Vol 65, Issue 24 Matteo Cococcioni
• [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J nuttachai jutong
  • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J Alex Smogunov
  • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J Burak Himmetoglu
  • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J nuttachai jutong
• [Pw_forum] Relaxation with LDA+U+J nuttachai jutong
  • [Pw_forum] Relaxation with LDA+U+J Matteo Cococcioni
• [Pw_forum] wavefunction difference mashiat alaaii
  • [Pw_forum] wavefunction difference Paolo Giannozzi
• [Pw_forum] error in parallel version of epw Elie M
• [Pw_forum] Parallel Phonon calculations Elie M
  • [Pw_forum] Parallel Phonon calculations Lorenzo Paulatto
  • [Pw_forum] Parallel Phonon calculations Elie M
• [Pw_forum] Weird jump in phonon dispersion at Gamma point Yao Yao
  • [Pw_forum] Weird jump in phonon dispersion at Gamma point Lorenzo Paulatto
  • [Pw_forum] Weird jump in phonon dispersion at Gamma point Eduardo Ariel Menendez Proupin
  • [Pw_forum] Weird jump in phonon dispersion at Gamma point Yao Yao
  • [Pw_forum] Weird jump in phonon dispersion at Gamma point Lorenzo Paulatto
• [Pw_forum] error scf calculation Said Asma
  • [Pw_forum] error scf calculation Pietro Bonfa'
  • [Pw_forum] error scf calculation Simon Binnie
  • [Pw_forum] error scf calculation Bramha Pandey
  • [Pw_forum] error scf calculation Bramha Pandey
• [Pw_forum] Negative charge Latévi Max LAWSON DAKU
  • [Pw_forum] Negative charge Paolo Giannozzi
  • [Pw_forum] Negative charge Latévi Max LAWSON DAKU
• [Pw_forum] SCF calculation input Kyeong-hyun Park
• [Pw_forum] Using a pseudopotential with ghosts Pietro Bonfa'
  • [Pw_forum] Using a pseudopotential with ghosts Paolo Giannozzi
  • [Pw_forum] Using a pseudopotential with ghosts Pietro Bonfa'
• [Pw_forum] non-collinear calculations with constrained magnetization N H Joshi
• [Pw_forum] nscf error Shamsu Abubakar
  • [Pw_forum] nscf error Axel Kohlmeyer
  • [Pw_forum] nscf error Bramha Pandey
• [Pw_forum] GGA not converge Sakhrawi Taoufek
  • [Pw_forum] GGA not converge Axel Kohlmeyer
  • [Pw_forum] GGA not converge Giuseppe Mattioli
• [Pw_forum] DFPT+U Suza W
  • [Pw_forum] DFPT+U Suza W
• [Pw_forum] DATAGRID_3D total points Ruibin Liu
  • [Pw_forum] DATAGRID_3D total points Guido Fratesi
• [Pw_forum] additional electron in the field pari shok
• [Pw_forum] visualization of the orbitals produced with the hybrid functional Alexey Akimov
  • [Pw_forum] visualization of the orbitals produced with the hybrid functional Giuseppe Mattioli
  • [Pw_forum] visualization of the orbitals produced with the hybrid functional Layla Martin-Samos
  • [Pw_forum] visualization of the orbitals produced with the hybrid functional Alexey Akimov
• [Pw_forum] Error in compiling espresso-4.0.3 Elie M
  • [Pw_forum] Error in compiling espresso-4.0.3 Lorenzo Paulatto
  • [Pw_forum] Error in compiling espresso-4.0.3 Elie M
• [Pw_forum] question about electric field mashiat alaaii
  • [Pw_forum] question about electric field Mohsen Modaresi
• [Pw_forum] dynamic coordinate study with CP farid taherkhani
  • [Pw_forum] dynamic coordinate study with CP Axel Kohlmeyer
  • [Pw_forum] dynamic coordinate study with CP farid taherkhani
  • [Pw_forum] dynamic coordinate study with CP Axel Kohlmeyer
• [Pw_forum] Tc Swetarekha Ram
• [Pw_forum] pdos files connot bw generated by projwfc.x 許世豪
  • [Pw_forum] pdos files connot bw generated by projwfc.x Lorenzo Paulatto
  • [Pw_forum] pdos files connot bw generated by projwfc.x 許世豪
  • [Pw_forum] pdos files connot bw generated by projwfc.x 許世豪
  • [Pw_forum] pdos files connot bw generated by projwfc.x GAO Zhe
  • [Pw_forum] pdos files connot bw generated by projwfc.x 許世豪
• [Pw_forum] Input file for pawplot.x Bramha Pandey
  • [Pw_forum] Input file for pawplot.x Paolo Giannozzi
  • [Pw_forum] Input file for pawplot.x Bramha Pandey
• [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations Simon Zapalowicz
  • [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations Paolo Giannozzi
  • [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations Simon Zapalowicz
  • [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations Paolo Giannozzi
• [Pw_forum] School for Quantum ESPRESSO developers Paolo Giannozzi
• [Pw_forum] How to suppress data files in prefix.save Bo Qiu
  • [Pw_forum] How to suppress data files in prefix.save Paolo Giannozzi
• [Pw_forum] Convergence test w.r.t 'tr2_ph' Kyeong-hyun Park
  • [Pw_forum] Convergence test w.r.t 'tr2_ph' Paolo Giannozzi
• [Pw_forum] convergence of SCF calculation of C6H8 Ruibin Liu
  • [Pw_forum] convergence of SCF calculation of C6H8 Axel Kohlmeyer
  • [Pw_forum] convergence of SCF calculation of C6H8 Ruibin Liu
  • [Pw_forum] convergence of SCF calculation of C6H8 Axel Kohlmeyer
  • [Pw_forum] convergence of SCF calculation of C6H8 Paolo Giannozzi
  • [Pw_forum] convergence of SCF calculation of C6H8 Ruibin Liu
  • [Pw_forum] convergence of SCF calculation of C6H8 Paolo Giannozzi
  • [Pw_forum] convergence of SCF calculation of C6H8 Ruibin Liu
  • [Pw_forum] convergence of SCF calculation of C6H8 Masoud
• [Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated Antonio
  • [Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated Antonio
  • [Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated Paolo Giannozzi
• [Pw_forum] Collect irreps on q != Gamma Silvia Bahmann
  • [Pw_forum] Collect irreps on q != Gamma Paolo Giannozzi
  • [Pw_forum] Collect irreps on q != Gamma Andrea Dal Corso
  • [Pw_forum] Collect irreps on q != Gamma Silvia Bahmann
• [Pw_forum] scf_must_converge florence liu
  • [Pw_forum] scf_must_converge Bramha Pandey
  • [Pw_forum] scf_must_converge Davide Ceresoli
  • [Pw_forum] scf_must_converge florence liu
  • [Pw_forum] scf_must_converge Bramha Pandey
  • [Pw_forum] scf_must_converge Ari P Seitsonen
  • [Pw_forum] scf_must_converge florence liu
  • [Pw_forum] scf_must_converge Sonu Kumar
  • [Pw_forum] scf_must_converge Lorenzo Paulatto
  • [Pw_forum] scf_must_converge Davide Ceresoli
  • [Pw_forum] scf_must_converge Davide Tiana
  • [Pw_forum] scf_must_converge Paolo Giannozzi
• [Pw_forum] Relaxation Sakhrawi Taoufek
  • [Pw_forum] Relaxation Axel Kohlmeyer
  • [Pw_forum] the smooth step function vc-relax Yongsheng Zhang
  • [Pw_forum] the smooth step function vc-relax Paolo Giannozzi
• [Pw_forum] Relaxtion Sakhrawi Taoufek
  • [Pw_forum] Relaxtion Lorenzo Paulatto
  • [Pw_forum] Relaxtion Giovanni Pizzi
  • [Pw_forum] Relaxtion Lorenzo Paulatto
  • [Pw_forum] Relaxtion Sakhrawi Taoufek
• [Pw_forum] Energy keeps going down david furman
  • [Pw_forum] Energy keeps going down Bramha Pandey
• [Pw_forum] Frozen atomic coordinates on phonon calculations:references Davide Tiana
• [Pw_forum] phonon: definition of dynamical matrix and the printed out omega in phonon MMS
  • [Pw_forum] phonon: definition of dynamical matrix and the printed out omega in phonon Paolo Giannozzi
  • [Pw_forum] phonon: definition of dynamical matrix and the printed out omega in phonon Paolo Giannozzi
• [Pw_forum] Primitive unitcell David Furman
  • [Pw_forum] Primitive unitcell Stefano de Gironcoli
  • [Pw_forum] Primitive unitcell Sonu Kumar
• [Pw_forum] Frozen atomic coordinates on phonon calculations: references Antonio
• [Pw_forum] qe-forge server down 6th november Layla Martin-Samos
• [Pw_forum] HYBRID XC not allowed in non-scf calculations Eduardo Ariel Menendez Proupin
  • [Pw_forum] HYBRID XC not allowed in non-scf calculations Layla Martin-Samos
• [Pw_forum] PBE-US-pseudopotential Paresh Chandra Rout
  • [Pw_forum] PBE-US-pseudopotential Prasenjit Ghosh
  • [Pw_forum] PBE-US-pseudopotential Layla Martin-Samos

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