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• • [Pw_forum] warning message about matdyn.x Stefano de Gironcoli
  • [Pw_forum] warning message about matdyn.x Paolo Giannozzi
  • [Pw_forum] warning message about matdyn.x Chengyang Li
  • [Pw_forum] warning message about matdyn.x Paolo Giannozzi
  • [Pw_forum] warning message about matdyn.x Chengyang Li
• [Pw_forum] Minor bug in matdyn.x Derek Stewart
  • [Pw_forum] Minor bug in matdyn.x Paolo Giannozzi
  • [Pw_forum] Minor bug in matdyn.x Derek Stewart
• [Pw_forum] REMINDER Paolo Giannozzi
• [Pw_forum] parallel phonon calculation on distributed memory machines Steve Schmerler
  • [Pw_forum] parallel phonon calculation on distributed memory machines Paolo Giannozzi
  • [Pw_forum] parallel phonon calculation on distributed memory machines Steve Schmerler
  • [Pw_forum] parallel phonon calculation on distributed memory machines Paolo Giannozzi
  • [Pw_forum] parallel phonon calculation on distributed memory machines Steve Schmerler
• [Pw_forum] band gap of 'GaAs' Bramha Pandey
• [Pw_forum] Unsubsribe chengyu yang
  • [Pw_forum] Unsubsribe Stefano de Gironcoli
• [Pw_forum] Negative values in density matrix. [email protected]
  • [Pw_forum] Negative values in density matrix. Lorenzo Paulatto
  • [Pw_forum] Negative values in density matrix. [email protected]
  • [Pw_forum] Negative values in density matrix. Lorenzo Paulatto
• [Pw_forum] rho mixing problem with PAW Giuseppe Mattioli
  • [Pw_forum] rho mixing problem with PAW Paolo Giannozzi
  • [Pw_forum] rho mixing problem with PAW Stefano de Gironcoli
• [Pw_forum] probelm in projwfc name list asa aravindh
  • [Pw_forum] probelm in projwfc name list Paolo Giannozzi
  • [Pw_forum] probelm in projwfc name list Bramha Pandey
• [Pw_forum] dipole correction-dipole field keep constant during optimization Fenggong Wang
  • [Pw_forum] dipole correction-dipole field keep constant during optimization Guido Fratesi
  • [Pw_forum] dipole correction-dipole field keep constant during optimization Fenggong Wang
  • [Pw_forum] dipole correction-dipole field keep constant during optimization Guido Fratesi
  • [Pw_forum] dipole correction-dipole field keep constant during optimization Fenggong Wang
• [Pw_forum] about ecutwfc convergence for total energy James Mao
  • [Pw_forum] about ecutwfc convergence for total energy Carlo Nervi
  • [Pw_forum] about ecutwfc convergence for total energy James Mao
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method [email protected]
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Giuseppe Mattioli
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
• [Pw_forum] Cell optimization converges to unrealistic value Yura Vishnevskiy
  • [Pw_forum] Cell optimization converges to unrealistic value Giuseppe Mattioli
  • [Pw_forum] Cell optimization converges to unrealistic value Yury Vishnevskiy
  • [Pw_forum] Cell optimization converges to unrealistic value Giuseppe Mattioli
  • [Pw_forum] Cell optimization converges to unrealistic value Yury Vishnevskiy
• [Pw_forum] Ultrosfot pseudopotential generation : negative rho Varadharajan Srinivasan
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Matteo Cococcioni
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Burak Himmetoglu
  • [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Giuseppe Mattioli
• [Pw_forum] K points coordinate type Caloma Trumica
  • [Pw_forum] K points coordinate type Paolo Giannozzi
• [Pw_forum] Fermi level too large Sakhrawi Taoufek
  • [Pw_forum] Fermi level too large Stefano de Gironcoli
  • [Pw_forum] Fermi level too large Sakhrawi Taoufek
  • [Pw_forum] Fermi level too large Paolo Giannozzi
• [Pw_forum] Regarding Animations in vibrational spectrum Kondaiah Samudrala
  • [Pw_forum] Fwd: Regarding Animations in vibrational spectrum Kondaiah Samudrala
  • [Pw_forum] Fwd: Regarding Animations in vibrational spectrum Paolo Giannozzi
• [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop Antonio
  • [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop Paolo Giannozzi
  • [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop Antonio
• [Pw_forum] vc-md could be stop by nstep after a slight change in code Riping Wang
  • [Pw_forum] vc-md could be stop by nstep after a slight change in code Paolo Giannozzi
• [Pw_forum] The electron affinities of defect in bulk crystal Tima Perevalov
  • [Pw_forum] kpoints path somayeh fotohi
  • [Pw_forum] kpoints path Paolo Giannozzi
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Burak Himmetoglu
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Burak Himmetoglu
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
  • [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
• [Pw_forum] Different optical mode frequency at the same q-vector dfsgdv dfsdf
  • [Pw_forum] Different optical mode frequency at the same q-vector Lorenzo Paulatto
  • [Pw_forum] Different optical mode frequency at the same q-vector Stefano Baroni
  • [Pw_forum] Different optical mode frequency at the same q-vector Kyeong-hyun Park
  • [Pw_forum] Different optical mode frequency at the same q-vector Lorenzo Paulatto
  • [Pw_forum] Different optical mode frequency at the same q-vector Kyeong-hyun Park
  • [Pw_forum] Different optical mode frequency at the same q-vector Lorenzo Paulatto
  • [Pw_forum] Different optical mode frequency at the same q-vector Lorenzo Paulatto
  • [Pw_forum] Different optical mode frequency at the same q-vector Kyeong-hyun Park
  • [Pw_forum] Different optical mode frequency at the same q-vector Lorenzo Paulatto
• [Pw_forum] symmetry Sakhrawi Taoufek
  • [Pw_forum] symmetry Stefano de Gironcoli
  • [Pw_forum] symmetry Paolo Giannozzi
• [Pw_forum] Raman spectra with GGA Prasenjit Ghosh
• [Pw_forum] generalized eigen values Padmaja Patnaik
  • [Pw_forum] generalized eigen values Layla Martin-Samos
  • [Pw_forum] generalized eigen values Paolo Giannozzi
  • [Pw_forum] generalized eigen values Stefano de Gironcoli
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
  • [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Paolo Giannozzi
  • [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
  • [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Paolo Giannozzi
  • [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
  • [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Eduardo Ariel Menendez Proupin
  • [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
  • [Pw_forum] Crystal Structure Page Temporarily Unavailable Michael Mehl
• [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen W2AGZ
  • [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen Andrei Malashevich
  • [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 6 Riping Wang
  • [Pw_forum] How to stop vc-md with given nstep? Paolo Giannozzi
• [Pw_forum] epw.x error: inconsistent nscf and elph k-grids Elie M
• [Pw_forum] ele phonon coupling at the gamma point Elie M
  • [Pw_forum] ele phonon coupling at the gamma point Paolo Giannozzi
  • [Pw_forum] ele phonon coupling at the gamma point Elie M
  • [Pw_forum] ele phonon coupling at the gamma point Matteo Calandra
• [Pw_forum] How to stop vc-md with given nstep? Riping Wang
  • [Pw_forum] How to stop vc-md with given nstep? Paolo Giannozzi
• [Pw_forum] IMPORTANT: QE Open Invitation to Contribute Stefano de Gironcoli
  • [Pw_forum] IMPORTANT: QE Open Invitation to Contribute Kucukbenli Emine
• [Pw_forum] r.x compilation error Bramha Pandey
  • [Pw_forum] r.x compilation error Stefano de Gironcoli
  • [Pw_forum] r.x compilation error Bramha Pandey
  • [Pw_forum] r.x compilation error Bramha Pandey
• [Pw_forum] electron-phonon interaction at the Gamma point Elie M
• [Pw_forum] plotrho manual Giuseppe Mattioli
  • [Pw_forum] plotrho manual Paolo Giannozzi
• [Pw_forum] A question about symmetry Caloma Trumica
  • [Pw_forum] Coordinate Shifting Yusuf Zuntu
  • [Pw_forum] Coordinate Shifting Stefano de Gironcoli
  • [Pw_forum] Coordinate Shifting Yusuf Zuntu
  • [Pw_forum] Coordinate Shifting Stefano Baroni
  • [Pw_forum] Extracting charge density difference Yusuf Zuntu
  • [Pw_forum] Extracting charge density difference Yusuf Zuntu
  • [Pw_forum] A question about symmetry Stefano de Gironcoli
• [Pw_forum] Segmentation fault (core dumped) to run a script Bramha Pandey
  • [Pw_forum] Segmentation fault (core dumped) to run a script Bramha Pandey
• [Pw_forum] electron phonon calculation at the Gamma point Elie M
• [Pw_forum] Density electronic Alfredo Ramirez
  • [Pw_forum] Density electronic Paolo Giannozzi
• [Pw_forum] starting_magnetization Sakhrawi Taoufek
  • [Pw_forum] starting_magnetization Paolo Giannozzi
  • [Pw_forum] RE : starting_magnetization BARRETEAU Cyrille
• [Pw_forum] how to print trajectory and velocity pw.x Ananya Mondal
• [Pw_forum] 1th october: mailing lists maintenance Layla Martin-Samos
• [Pw_forum] polarizability of metals using ph.x anne etindele
  • [Pw_forum] polarizability of metals using ph.x Stefano Baroni
  • [Pw_forum] polarizability of metals using ph.x Stefano de Gironcoli
• [Pw_forum] ecutwfc convergence Eduardo Ariel Menendez Proupin
  • [Pw_forum] ecutwfc convergence Yusuf Zuntu
  • [Pw_forum] ecutwfc convergence Eduardo Ariel Menendez Proupin
  • [Pw_forum] ecutwfc convergence Filipe Camargo Dalmatti Alves Lima
  • [Pw_forum] Plotting graphene band Yusuf Zuntu
• [Pw_forum] functionals and pseudopotentials for bandgap. Eduardo Ariel Menendez Proupin
  • [Pw_forum] functionals and pseudopotentials for bandgap. William Parker
• [Pw_forum] Error while parsing atomic positions Kajal Jindal
  • [Pw_forum] Error while parsing atomic positions Stefano Baroni
  • [Pw_forum] ecutwfc convergence Yusuf Zuntu
  • [Pw_forum] Error while parsing atomic positions Eduardo Ariel Menendez Proupin
  • [Pw_forum] Error while parsing atomic positions Axel Kohlmeyer
• [Pw_forum] U calculation with noncollinear spins Peng Chen
  • [Pw_forum] U calculation with noncollinear spins Matteo Cococcioni
  • [Pw_forum] U calculation with noncollinear spins Peng Chen
• [Pw_forum] U of vanadium Peng Chen
  • [Pw_forum] Error in routine cdiaghg S matrix not positive definite Jennifer Wohlwend
  • [Pw_forum] Error in routine cdiaghg S matrix not positive definite Paolo Giannozzi
  • [Pw_forum] Error in routine cdiaghg S matrix not positive definite Jennifer Wohlwend
  • [Pw_forum] Error in routine cdiaghg S matrix not positive definite Sonu Kumar
  • [Pw_forum] Error in routine cdiaghg S matrix not positive definite Stefano de Gironcoli
  • [Pw_forum] Error in routine cdiaghg S matrix not positive definite Sonu Kumar
• [Pw_forum] QE-5.0.1 Elie M
  • [Pw_forum] QE-5.0.1 bamidele ibrahim
• [Pw_forum] Error in routine scale_h (1) Alexey Akimov
  • [Pw_forum] Error in routine scale_h (1) Martin Andersson
  • [Pw_forum] Error in routine scale_h (1) Alexey Akimov
  • [Pw_forum] Error in routine scale_h (1) Paolo Giannozzi
  • [Pw_forum] Error in routine scale_h (1) Alexey Akimov
  • [Pw_forum] Error in routine scale_h (1) Stefano de Gironcoli
  • [Pw_forum] Error in routine scale_h (1) Alexey Akimov
  • [Pw_forum] Error in routine scale_h (1) Axel Kohlmeyer
  • [Pw_forum] Error in routine scale_h (1) Alexey Akimov
• [Pw_forum] info regarding r.x code Bramha Pandey
  • [Pw_forum] info regarding r.x code Peng Chen
  • [Pw_forum] info regarding r.x code Bramha Pandey
  • [Pw_forum] info regarding r.x code Bramha Pandey
• [Pw_forum] Regarding davcio error [email protected]
  • [Pw_forum] Regarding davcio error Bramha Pandey
• [Pw_forum] SYMMETRY REFERENCE Caloma Trumica
  • [Pw_forum] SYMMETRY REFERENCE Sonu Kumar
  • [Pw_forum] SYMMETRY REFERENCE Caloma Trumica
  • [Pw_forum] SYMMETRY REFERENCE Paolo Giannozzi
  • [Pw_forum] relax issue Yusuf Zuntu
  • [Pw_forum] relax issue Paolo Giannozzi
• [Pw_forum] Question of a system administrator about pw.x usage Silas Silva
  • [Pw_forum] Question of a system administrator about pw.x usage Filippo Spiga
  • [Pw_forum] Question of a system administrator about pw.x usage Paolo Giannozzi
• [Pw_forum] 'hse' in pw run can not converges Bramha Pandey
  • [Pw_forum] 'hse' in pw run can not converges Giuseppe Mattioli
  • [Pw_forum] 'hse' in pw run can not converges Bramha Pandey
  • [Pw_forum] 'hse' in pw run can not converges Paolo Giannozzi
  • [Pw_forum] 'hse' in pw run can not converges Giuseppe Mattioli

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