pw_forum  

Messages by Thread

• • [Pw_forum] alignment of computed NMR spectra wrt the experimental one Davide Ceresoli
  • [Pw_forum] alignment of computed NMR spectra wrt the experimental one Prasenjit Ghosh
• [Pw_forum] Bands for Te and Se not appears in Zn2Te2Se zafar rasheed
• [Pw_forum] symmetry breaking in QE and VASP Hanghui Chen
  • [Pw_forum] symmetry breaking in QE and VASP Burak Himmetoglu
• [Pw_forum] model solvent effects in QE Prasenjit Ghosh
• [Pw_forum] error in pw installation on cluster deepika goyal
  • [Pw_forum] error in pw installation on cluster Paolo Giannozzi
• [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Jarkko Vähäkangas
  • [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Kucukbenli Emine
  • [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Jarkko Vähäkangas
  • [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Kucukbenli Emine
• [Pw_forum] davcio : error# 10 Shamsu Abubakar
  • [Pw_forum] davcio : error# 10 Duy Le
• [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
  • [Pw_forum] error in find_mode_sym.f90 Dal Corso Andrea
  • [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
  • [Pw_forum] error in find_mode_sym.f90 Paolo Giannozzi
  • [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
  • [Pw_forum] error in find_mode_sym.f90 Andrea Dal Corso
  • [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
  • [Pw_forum] error in find_mode_sym.f90 Giovanni Pizzi
  • [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
• [Pw_forum] HSE calculations Caloma Trumica
  • [Pw_forum] HSE calculations Seyed Javad Hashemifar
  • [Pw_forum] HSE calculations Caloma Trumica
  • [Pw_forum] HSE calculations Seyed Javad Hashemifar
• [Pw_forum] QW nanostructures mohaddeseh abbasnejad
  • [Pw_forum] QW nanostructures Axel Kohlmeyer
• [Pw_forum] Fail to predict semiconductor Iwan Darmadi
  • [Pw_forum] Fail to predict semiconductor Jose C. Conesa
  • [Pw_forum] Fail to predict semiconductor Iwan Darmadi
  • [Pw_forum] Fail to predict semiconductor "José C. Conesa"
  • [Pw_forum] Fail to predict semiconductor Iwan Darmadi
  • [Pw_forum] Fail to predict semiconductor Iwan Darmadi
  • [Pw_forum] Fail to predict semiconductor Giuseppe Mattioli
  • [Pw_forum] Fail to predict semiconductor Alexey Akimov
  • [Pw_forum] Fail to predict semiconductor Giuseppe Mattioli
  • [Pw_forum] Fail to predict semiconductor Alexey Akimov
  • [Pw_forum] Fail to predict semiconductor Giuseppe Mattioli
• [Pw_forum] GPU-QE Prasenjit Ghosh
  • [Pw_forum] GPU-QE Ivan Girotto
  • [Pw_forum] GPU-QE Prasenjit Ghosh
  • [Pw_forum] GPU-QE Filippo Spiga
  • [Pw_forum] GPU-QE Prasenjit Ghosh
• [Pw_forum] charge transfer Amir hosseini
  • [Pw_forum] charge transfer Stefano Baroni
• [Pw_forum] Error in routine bands (1): gamma_only case not implemented zafar rasheed
  • [Pw_forum] Error in routine bands (1): gamma_only case not implemented Paolo Giannozzi
  • [Pw_forum] Error in routine bands (1): gamma_only case not implemented zafar rasheed
• [Pw_forum] g-tensor with ultrasoft pseudopotential Jarkko Vähäkangas
  • [Pw_forum] g-tensor with ultrasoft pseudopotential Kucukbenli Emine
  • [Pw_forum] g-tensor with ultrasoft pseudopotential Jarkko Vähäkangas
  • [Pw_forum] g-tensor with ultrasoft pseudopotential "José C. Conesa"
• [Pw_forum] Could anyone share a stable pseudopotential of lithium? Johannes Moeller
  • [Pw_forum] Could anyone share a stable pseudopotential of lithium? Axel Kohlmeyer
• [Pw_forum] Could anyone share a stable pseudopotential of lithium? 高淼
• [Pw_forum] el-ph interaction matrix element Yuanxi Wang
• [Pw_forum] Pw_forum Digest, Vol 67, Issue 36 Daniel Wolverson
  • [Pw_forum] Pw_forum Digest, Vol 67, Issue 36 Stefano Baroni
• [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Paolo Giannozzi
  • [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
• [Pw_forum] Band gap ramzi alaya
  • [Pw_forum] Band gap Stefano Baroni
  • [Pw_forum] Band gap ramzi alaya
  • [Pw_forum] Band gap Stefano Baroni
  • [Pw_forum] Band gap ramzi alaya
• [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
  • [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Ali KACHMAR
  • [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
  • [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
  • [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
  • [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus bamidele ibrahim
  • [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Stefano Baroni
• [Pw_forum] about PbSe (rel-pz-nc.UPF) Pseudopotential from PSlibrary zhhjin
  • [Pw_forum] about PbSe (rel-pz-nc.UPF) Pseudopotential from PSlibrary Nicki Frank Hinsche
• [Pw_forum] Hybrid functionals for GIPAW calculations Jarkko Vähäkangas
  • [Pw_forum] Hybrid functionals for GIPAW calculations Davide Ceresoli
  • [Pw_forum] Hybrid functionals for GIPAW calculations Jarkko Vähäkangas
  • [Pw_forum] Hybrid functionals for GIPAW calculations Stefano Baroni
  • [Pw_forum] Hybrid functionals for GIPAW calculations Giuseppe Mattioli
  • [Pw_forum] Hybrid functionals for GIPAW calculations Simon Binnie
  • [Pw_forum] Hybrid functionals for GIPAW calculations Giuseppe Mattioli
• [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
  • [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
• [Pw_forum] Non-spin polarized starting_ns_eigenvalue Iwan Darmadi
  • [Pw_forum] Non-spin polarized starting_ns_eigenvalue Paolo Giannozzi
• [Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point Ijäs Mari
  • [Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point Paolo Giannozzi
  • [Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point Ijäs Mari
• [Pw_forum] NVIDIA GPU Test Drive, Kepler K20 accelerator available Filippo Spiga
• [Pw_forum] energy for H atom Helen Eisenberg
  • [Pw_forum] energy for H atom Paolo Giannozzi
• [Pw_forum] changing total energy due to changing ibrav Tram Bui
  • [Pw_forum] changing total energy due to changing ibrav Lorenzo Paulatto
  • [Pw_forum] changing total energy due to changing ibrav Duy Le
  • [Pw_forum] changing total energy due to changing ibrav Tram Bui
• [Pw_forum] plan_avg.x for wavefunction squared calculation pari shok
  • [Pw_forum] plan_avg.x for wavefunction squared calculation Paolo Giannozzi
• [Pw_forum] ph.x: Wrong classes for C_3v David Strubbe
  • [Pw_forum] ph.x: Wrong classes for C_3v Giovanni Pizzi
  • [Pw_forum] ph.x: Wrong classes for C_3v Dal Corso Andrea
  • [Pw_forum] ph.x: Wrong classes for C_3v David Strubbe
• [Pw_forum] charge density difference Peng Chen
  • [Pw_forum] charge density difference Paolo Giannozzi
  • [Pw_forum] charge density difference Peng Chen
• [Pw_forum] from electrons : error # 1 Mansoureh Pashangpour
• [Pw_forum] harmonic instability and lattice constant karan deep
• [Pw_forum] Still need help with Tc calculation [email protected]
  • [Pw_forum] Still need help with Tc calculation Paolo Giannozzi
• [Pw_forum] Restart phonon calculation from failed recovery file? Jia Zhang
  • [Pw_forum] Restart phonon calculation from failed recovery file? Paolo Giannozzi
• [Pw_forum] Potential problem with Li.pbe-n-van.UPF PsP Johannes Moeller
• [Pw_forum] kpoints.x querry Nandan Tandon
  • [Pw_forum] kpoints.x querry Paolo Giannozzi
  • [Pw_forum] kpoints.x querry Nandan Tandon
  • [Pw_forum] kpoints.x querry Paolo Giannozzi
  • [Pw_forum] kpoints.x querry Nandan Tandon
  • [Pw_forum] kpoints.x querry Paolo Giannozzi
• [Pw_forum] Maybe a mistake in the document for the cp.x with wannier function Yi Yao
  • [Pw_forum] Maybe a mistake in the document for the cp.x with wannier function Paolo Giannozzi
• [Pw_forum] Ni pseudopotential Peng Chen
  • [Pw_forum] Ni pseudopotential Arles V. Gil Rebaza
  • [Pw_forum] Ni pseudopotential Peng Chen
  • [Pw_forum] Ni pseudopotential Yue-Wen Fang
  • [Pw_forum] Ni pseudopotential Peng Chen
• [Pw_forum] plan_avg.x input file pari shok
  • [Pw_forum] setting grid size and memory management for pw scf Mike Marchywka
  • [Pw_forum] setting grid size and memory management for pw scf Paolo Giannozzi
  • [Pw_forum] setting grid size and memory management for pw scf Mike Marchywka
  • [Pw_forum] setting grid size and memory management for pw scf Paolo Giannozzi
  • [Pw_forum] setting grid size and memory management for pw scf Paolo Giannozzi
  • [Pw_forum] setting grid size and memory management for pw scf Lorenzo Paulatto
• [Pw_forum] Error while trying to calculate phonons on a grid Giovanni Baez
  • [Pw_forum] Error while trying to calculate phonons on a grid Paolo Giannozzi
  • [Pw_forum] Error while trying to calculate phonons on a grid Gabriele Sclauzero
• [Pw_forum] still execution problem when compiling with openmp and ifort + flags for mpif90 eitan eidelstein
  • [Pw_forum] still execution problem when compiling with openmp and ifort + flags for mpif90 Paolo Giannozzi
• [Pw_forum] 回复： Relax Calculation for ZnO 纳米
  • [Pw_forum] 回复： Relax Calculation for ZnO Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 67, Issue 6 Kopinjol Baishya
• [Pw_forum] Relax Calculation in ZnO Angga Fauzi
  • [Pw_forum] Relax Calculation in ZnO Yue-Wen Fang
  • [Pw_forum] Relax Calculation in ZnO Duy Le
• [Pw_forum] Relax Calculation for ZnO Angga Fauzi
  • [Pw_forum] Relax Calculation for ZnO [email protected]
  • [Pw_forum] Bls: Relax Calculation for ZnO Angga Fauzi
  • [Pw_forum] Bls: Relax Calculation for ZnO Giuseppe Mattioli
  • [Pw_forum] Bls: Bls: Relax Calculation for ZnO Angga Fauzi
  • [Pw_forum] Relax Calculation for ZnO Lorenzo Paulatto
• [Pw_forum] error whilst doing phonon calculations: Elias Albert
• [Pw_forum] CECAM Yambo School April 2013 on Electronic and Optical Excitations - Announcement Conor Hogan
• [Pw_forum] Error in phonon calculations Deepashri Saraf
  • [Pw_forum] Error in phonon calculations Peram sreenivasa reddy
• [Pw_forum] Differences between single-projector & multiple-projector and their physics Yue-Wen Fang
• [Pw_forum] troubleshooting cdiaghg-have checked faq vijaya subramanian
  • [Pw_forum] troubleshooting cdiaghg-have checked faq mohnish pandey
  • [Pw_forum] troubleshooting cdiaghg-have checked faq Paolo Giannozzi
  • [Pw_forum] troubleshooting cdiaghg-have checked faq KACHMAR Ali
  • [Pw_forum] troubleshooting cdiaghg-have checked faq Sonu Kumar
• [Pw_forum] qe does not read input file Surender
  • [Pw_forum] qe does not read input file Paolo Giannozzi
• [Pw_forum] mode symmetry espresso quantum
  • [Pw_forum] mode symmetry Stefano Baroni
  • [Pw_forum] mode symmetry 昶棘汐
  • [Pw_forum] mode symmetry 昶棘汐
• [Pw_forum] Mode symmetry at Gamma espresso quantum
• [Pw_forum] mixed of Pseudopotentials Shamsu Abubakar
  • [Pw_forum] mixed of Pseudopotentials Paolo Giannozzi
• [Pw_forum] cpmd cannot reach the electronic ground state DONG Juncai
  • [Pw_forum] cpmd cannot reach the electronic ground state Paolo Giannozzi
  • [Pw_forum] cpmd cannot reach the electronic ground state DONG Juncai
  • [Pw_forum] cpmd cannot reach the electronic ground state Paolo Giannozzi
• [Pw_forum] regression in phonon with SOC between v5.0.1 and v5.0.2 Alaska Subedi
  • [Pw_forum] regression in phonon with SOC between v5.0.1 and v5.0.2 Dal Corso Andrea
• [Pw_forum] Iron & Starting Magnetization Ben Palmer
  • [Pw_forum] Iron & Starting Magnetization Paolo Giannozzi
  • [Pw_forum] Iron & Starting Magnetization Ben Palmer
  • [Pw_forum] Iron & Starting Magnetization Paolo Giannozzi
  • [Pw_forum] Iron & Starting Magnetization Ben Palmer

• Earlier messages
• Later messages