pw_forum  

Messages by Date

• 2012/02/25 [Pw_forum] regarding stress in pw.x output file bramha pandey
• 2012/02/25 [Pw_forum] linux Sohail Ahmad
• 2012/02/25 [Pw_forum] small negative stress after optimization Stefano Baroni
• 2012/02/24 [Pw_forum] small negative stress after optimization bahadir
• 2012/02/24 [Pw_forum] phonon lifetimes Lorenzo Paulatto
• 2012/02/24 [Pw_forum] phonon lifetimes Lorenzo Paulatto
• 2012/02/24 [Pw_forum] phonon calculation problem Paolo Giannozzi
• 2012/02/24 [Pw_forum] units of psi in e-ph coupling matrix element Paolo Giannozzi
• 2012/02/24 [Pw_forum] phonon lifetimes Paolo Giannozzi
• 2012/02/23 [Pw_forum] phonon lifetimes Giuseppe Romano
• 2012/02/23 [Pw_forum] (no subject) Stefano Baroni
• 2012/02/23 [Pw_forum] units of psi in e-ph coupling matrix element Ajit Vallabhaneni
• 2012/02/23 [Pw_forum] "Inconsistent nr1, nr2, nr3 read" during e-ph coupling calculation Paolo Giannozzi
• 2012/02/23 [Pw_forum] regarding stress in pw.x output file Stefano de Gironcoli
• 2012/02/23 [Pw_forum] regarding stress in pw.x output file bramha pandey
• 2012/02/23 [Pw_forum] POPULATION OF CHARGE Giuseppe Mattioli
• 2012/02/23 [Pw_forum] POPULATION OF CHARGE GAO Zhe
• 2012/02/23 [Pw_forum] (no subject) Divya Srivastava
• 2012/02/23 [Pw_forum] POPULATION OF CHARGE bhabya sahoo
• 2012/02/23 [Pw_forum] phonon calculation problem Fen Hong
• 2012/02/23 [Pw_forum] ZB ZnO vs WZ ZnO at HSE level [email protected]
• 2012/02/23 [Pw_forum] R: Re: ZB ZnO vs WZ ZnO at HSE level [email protected]
• 2012/02/22 [Pw_forum] ZB ZnO vs WZ ZnO at HSE level Paolo Giannozzi
• 2012/02/22 [Pw_forum] short consultation about pseudopotentials Paolo Giannozzi
• 2012/02/22 [Pw_forum] about PWCOND Peter Wang
• 2012/02/22 [Pw_forum] "Inconsistent nr1, nr2, nr3 read" during e-ph coupling calculation 陶鹏
• 2012/02/22 [Pw_forum] How to appear name of special points on the band structure graph? Thanh Liêm Bùi
• 2012/02/22 [Pw_forum] ZB ZnO vs WZ ZnO at HSE level [email protected]
• 2012/02/22 [Pw_forum] short consultation about pseudopotentials IYAD AL-QASIR
• 2012/02/22 [Pw_forum] short consultation about pseudopotentials stepan
• 2012/02/22 [Pw_forum] about PWCOND Alex Smogunov
• 2012/02/21 [Pw_forum] units of psi in e-ph coupling matrix element Ajit Vallabhaneni
• 2012/02/21 [Pw_forum] Problem using SGE Mahmoud Payami
• 2012/02/21 [Pw_forum] Problem using SGE Axel Kohlmeyer
• 2012/02/21 [Pw_forum] about PWCOND Yunpeng Wang
• 2012/02/21 [Pw_forum] Defect charge transition levels in semiconductors Layla Martin-Samos
• 2012/02/21 [Pw_forum] Defect charge transition levels in semiconductors naphtaly moro
• 2012/02/21 [Pw_forum] Problem using SGE Mahmoud Payami
• 2012/02/20 [Pw_forum] LATTICE PARAMETER FOR InAs/GaAs QUANTUM DOT GAO Zhe
• 2012/02/20 [Pw_forum] LATTICE PARAMETER FOR InAs/GaAs QUANTUM DOT michael onyeaju
• 2012/02/20 [Pw_forum] Soft exit signal has no effect (NSCF jobs will be killed by the queuing system) Paolo Giannozzi
• 2012/02/20 [Pw_forum] Soft exit signal has no effect (NSCF jobs will be killed by the queuing system) Kiss, Ioan
• 2012/02/20 [Pw_forum] Help regarding Cv value using phdos bramha pandey
• 2012/02/19 [Pw_forum] T vs volume calculation Stefano Baroni
• 2012/02/19 [Pw_forum] el-phon calculation lambda convergence bahadir
• 2012/02/18 [Pw_forum] T vs volume calculation zafar rasheed
• 2012/02/18 [Pw_forum] convergence problems in phonon calculations Paolo Giannozzi
• 2012/02/17 [Pw_forum] Hellmann Feynmann forces in QE Stefano Baroni
• 2012/02/17 [Pw_forum] convergence problems in phonon calculations Thomas Gruber
• 2012/02/17 [Pw_forum] Unit of pp.x charge WF
• 2012/02/17 [Pw_forum] lattice parameter ingap Giuseppe Mattioli
• 2012/02/17 [Pw_forum] Unit of pp.x charge Paolo Giannozzi
• 2012/02/17 [Pw_forum] reading data with q2r.x Andrea Dal Corso
• 2012/02/17 [Pw_forum] band bhabya sahoo
• 2012/02/16 [Pw_forum] TAGS for simulate annealing Paolo Giannozzi
• 2012/02/16 [Pw_forum] Hellmann Feynmann forces in QE Liang Feng Huang
• 2012/02/16 [Pw_forum] Unit of pp.x charge WF
• 2012/02/16 [Pw_forum] lattice parameter ingap samad zare
• 2012/02/16 [Pw_forum] TAGS for simulate annealing YY
• 2012/02/16 [Pw_forum] Hellmann Feynmann forces in QE Lorenzo Paulatto
• 2012/02/16 [Pw_forum] Hellmann Feynmann forces in QE Elie M
• 2012/02/16 [Pw_forum] electron-phonon unity mode output Paolo Giannozzi
• 2012/02/16 [Pw_forum] TAGS for simulate annealing Paolo Giannozzi
• 2012/02/16 [Pw_forum] Scf calculation help Giovani Faccin
• 2012/02/16 [Pw_forum] reading data with q2r.x Alexandre Lebon
• 2012/02/16 [Pw_forum] reading data with q2r.x Lorenzo Paulatto
• 2012/02/16 [Pw_forum] Scf calculation help naphtaly moro
• 2012/02/16 [Pw_forum] reading data with q2r.x Alexandre Lebon
• 2012/02/15 [Pw_forum] Scf calculation help bramha pandey
• 2012/02/15 [Pw_forum] TAGS for simulate annealing YY
• 2012/02/15 [Pw_forum] Scf calculation help Tribhuwan Pandey
• 2012/02/15 [Pw_forum] How to generatie all kpoints for the case ibrav=0 Vo, Trinh (388C)
• 2012/02/15 [Pw_forum] How to generatie all kpoints for the case ibrav=0 Vo, Trinh (388C)
• 2012/02/15 [Pw_forum] electron-phonon unity mode output Shela Aboud
• 2012/02/15 [Pw_forum] Jellium calculation? Xiaoguang Zhang
• 2012/02/15 [Pw_forum] Orthorhombic structure of Gallium Payam Norouzzadeh
• 2012/02/15 [Pw_forum] constrained MD with cp.x Giuseppe Mattioli
• 2012/02/15 [Pw_forum] How to generatie all kpoints for the case ibrav=0 Lorenzo Paulatto
• 2012/02/15 [Pw_forum] How to generatie all kpoints for the case ibrav=0 Layla Martin-Samos
• 2012/02/15 [Pw_forum] Serious PW91 bug (Was: Bug in fhi2upf.x?) Paolo Giannozzi
• 2012/02/15 [Pw_forum] Issues running PWscf with long path names Paolo Giannozzi
• 2012/02/14 [Pw_forum] Issues running PWscf with long path names Layla Martin-Samos
• 2012/02/14 [Pw_forum] How to generatie all kpoints for the case ibrav=0 Vo, Trinh (388C)
• 2012/02/14 [Pw_forum] Issues running PWscf with long path names Wirawan Purwanto
• 2012/02/14 [Pw_forum] Orthorhombic structure of Gallium Payam Norouzzadeh
• 2012/02/14 [Pw_forum] Orthorhombic structure of Gallium Michael Mehl
• 2012/02/14 [Pw_forum] Orthorhombic structure of Gallium Payam Norouzzadeh
• 2012/02/14 [Pw_forum] Configure script problem Axel Kohlmeyer
• 2012/02/14 [Pw_forum] Bug in fhi2upf.x? Henning Glawe
• 2012/02/14 [Pw_forum] Configure script problem Federico Vadell
• 2012/02/14 [Pw_forum] mixture Paolo Giannozzi
• 2012/02/14 [Pw_forum] k-resolved DOS Niharika Joshi
• 2012/02/14 [Pw_forum] Configure script problem Axel Kohlmeyer
• 2012/02/14 [Pw_forum] Configure script problem Federico Vadell
• 2012/02/14 [Pw_forum] k-resolved DOS Guido Fratesi
• 2012/02/13 [Pw_forum] k-resolved DOS Niharika Joshi
• 2012/02/13 [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA) Lazaro Calderin
• 2012/02/13 [Pw_forum] phonon calculations in a spercell of 100 atoms Paolo Giannozzi
• 2012/02/13 [Pw_forum] phonon calculations in a spercell of 100 atoms Elie M
• 2012/02/13 [Pw_forum] phonon calculations in a spercell of 100 atoms Lorenzo Paulatto
• 2012/02/13 [Pw_forum] phonon calculations in a spercell of 100 atoms Elie M
• 2012/02/13 [Pw_forum] phonon calculations in a spercell of 100 atoms Lorenzo Paulatto
• 2012/02/13 [Pw_forum] phonon calculations in a spercell of 100 atoms Elie M
• 2012/02/13 [Pw_forum] local basis for projected DOS Guido Fratesi
• 2012/02/12 [Pw_forum] orthogonality of phonon eigenvectors? Paolo Giannozzi
• 2012/02/12 [Pw_forum] orthogonality of phonon eigenvectors? Sonu Kumar
• 2012/02/12 [Pw_forum] orthogonality of phonon eigenvectors? Suza W
• 2012/02/12 [Pw_forum] local basis for projected DOS Natalia Pavlenko
• 2012/02/11 [Pw_forum] orthogonality of phonon eigenvectors? Sonu Kumar
• 2012/02/11 [Pw_forum] Call of GPU benchmark inputs for PWSCF Filippo Spiga
• 2012/02/11 [Pw_forum] correct volume for effective charge calculation for supercell Paolo Giannozzi
• 2012/02/10 [Pw_forum] correct volume for effective charge calculation for supercell KORIR KIPRONOH
• 2012/02/10 [Pw_forum] mixture mateusz dulski
• 2012/02/10 [Pw_forum] correct volume for effective charge calculation for supercell KORIR KIPRONOH
• 2012/02/10 [Pw_forum] How we can give Temperature to equilibrium system (T=o) bramha pandey
• 2012/02/10 [Pw_forum] write a xsf file using pwi2xsf.sh Tone Kokalj
• 2012/02/10 [Pw_forum] Calculation stopped at the beginning of ph.x process GAO Zhe
• 2012/02/10 [Pw_forum] orthogonality of phonon eigenvectors? Paolo Giannozzi
• 2012/02/10 [Pw_forum] rgen: error 4, too many r-vectors Martin Andersson
• 2012/02/09 [Pw_forum] orthogonality of phonon eigenvectors? Suza W
• 2012/02/09 [Pw_forum] Follow up on thread: unitary matrix u Paolo Giannozzi
• 2012/02/09 [Pw_forum] Your message to Pw_forum awaits moderator approval Shela Aboud
• 2012/02/09 [Pw_forum] Follow up on thread: unitary matrix u Shela Aboud
• 2012/02/09 [Pw_forum] large system parallel execution problem Paolo Giannozzi
• 2012/02/09 [Pw_forum] Uranium pseudopotenial German Samolyuk
• 2012/02/09 [Pw_forum] large system parallel execution problem German Samolyuk
• 2012/02/09 [Pw_forum] optimisation bhabya sahoo
• 2012/02/09 [Pw_forum] large system parallel execution problem Paolo Giannozzi
• 2012/02/09 [Pw_forum] Fwd: Uranium pseudopotenial Gabriele Sclauzero
• 2012/02/09 [Pw_forum] Calculation stopped at the beginning of ph.x process Paolo Giannozzi
• 2012/02/09 [Pw_forum] How we can give Temperature to equilibrium system (T=o) GAO Zhe
• 2012/02/09 [Pw_forum] How we can give Temperature to equilibrium system (T=o) bramha pandey
• 2012/02/09 [Pw_forum] Calculation stopped at the beginning of ph.x process GAO Zhe
• 2012/02/09 [Pw_forum] Identifying the phonon mode from eigen vector Stefano Baroni
• 2012/02/09 [Pw_forum] LDA+U+non-collinear magnetism Alex Smogunov
• 2012/02/09 [Pw_forum] LDA+U+non-collinear magnetism Magdalena Birowska
• 2012/02/09 [Pw_forum] write a xsf file using pwi2xsf.sh [email protected]
• 2012/02/08 [Pw_forum] large system parallel execution problem German Samolyuk
• 2012/02/08 [Pw_forum] The output of d3x Lorenzo Paulatto
• 2012/02/08 [Pw_forum] The output of d3x Hua Bao
• 2012/02/08 [Pw_forum] Uranium pseudopotenial German Samolyuk
• 2012/02/08 [Pw_forum] pwscf: constrained total magnetic moment German Samolyuk
• 2012/02/08 [Pw_forum] The iotk error occurrd in ph.x GAO Zhe
• 2012/02/08 [Pw_forum] The iotk error occurrd in ph.x Axel Kohlmeyer
• 2012/02/08 [Pw_forum] Segfault in ph.x (QE 4.3.2, 4.3.1) Lorenzo Paulatto
• 2012/02/08 [Pw_forum] Segfault in ph.x (QE 4.3.2, 4.3.1) Ijäs Mari
• 2012/02/08 [Pw_forum] Pseudopotentials Layla Martin-Samos
• 2012/02/08 [Pw_forum] Identifying the phonon mode from eigen vector Stefano Baroni
• 2012/02/08 [Pw_forum] Pseudopotentials henry odhiambo
• 2012/02/07 [Pw_forum] The iotk error occurrd in ph.x GAO Zhe
• 2012/02/07 [Pw_forum] Identifying the phonon mode from eigen vector Ajit Vallabhaneni
• 2012/02/07 [Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2 Xiaoguang Zhang
• 2012/02/07 [Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2 Paolo Giannozzi
• 2012/02/07 [Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2 Xiaoguang Zhang
• 2012/02/07 [Pw_forum] pseudopotentials for C, H, O and Cl (Giuseppe Mattioli) Giuseppe Mattioli
• 2012/02/07 [Pw_forum] low frequency dielectric constant Paolo Giannozzi
• 2012/02/07 [Pw_forum] scalability of the code Paolo Giannozzi
• 2012/02/07 [Pw_forum] R: Re: scalability of the code [email protected]
• 2012/02/07 [Pw_forum] scalability of the code Gabriele Sclauzero
• 2012/02/07 [Pw_forum] scalability of the code Paolo Giannozzi
• 2012/02/07 [Pw_forum] scalability of the code [email protected]
• 2012/02/06 [Pw_forum] pseudopotentials for C, H, O and Cl (Giuseppe Mattioli) Axel Kohlmeyer
• 2012/02/06 [Pw_forum] pseudopotentials for C, H, O and Cl (Giuseppe Mattioli) Nicola Marzari
• 2012/02/06 [Pw_forum] pseudopotentials for C, H, O and Cl (Giuseppe Mattioli) Chan-Woo Lee
• 2012/02/06 [Pw_forum] pseudopotentials for C, H, O and Cl (Giuseppe Mattioli) José Alberto Pires Fernandes
• 2012/02/06 [Pw_forum] Excited State Gradients in TDDFT dario rocca
• 2012/02/06 [Pw_forum] Regarding anatase structure mohaddeseh abbasnejad
• 2012/02/06 [Pw_forum] pseudopotentials for C, H, O and Cl Giuseppe Mattioli
• 2012/02/06 [Pw_forum] pseudopotentials for C, H, O and Cl José Alberto Pires Fernandes
• 2012/02/06 [Pw_forum] Hartree Fock Axel Kohlmeyer
• 2012/02/06 [Pw_forum] Corrupting "input_tmp.in" when starting jobs at once Layla Martin-Samos
• 2012/02/06 [Pw_forum] Corrupting "input_tmp.in" when starting jobs at once Silvia Bahmann
• 2012/02/06 [Pw_forum] Corrupting "input_tmp.in" when starting jobs at once Layla Martin-Samos
• 2012/02/06 [Pw_forum] Corrupting "input_tmp.in" when starting jobs at once Paolo Giannozzi
• 2012/02/06 [Pw_forum] Corrupting "input_tmp.in" when starting jobs at once Layla Martin-Samos
• 2012/02/06 [Pw_forum] Corrupting "input_tmp.in" when starting jobs at once Silvia Bahmann
• 2012/02/06 [Pw_forum] Hartree Fock Stefano Baroni
• 2012/02/06 [Pw_forum] Excited State Gradients in TDDFT [email protected]
• 2012/02/05 [Pw_forum] Hartree Fock Cuauhtemoc Salazar
• 2012/02/05 [Pw_forum] No plane waves Paolo Giannozzi
• 2012/02/05 [Pw_forum] Fwd: No plane waves Payam Norouzzadeh
• 2012/02/05 [Pw_forum] No plane waves Paolo Giannozzi
• 2012/02/04 [Pw_forum] low frequency dielectric constant Vivek Ranjan
• 2012/02/04 [Pw_forum] Problem with parallel execution Axel Kohlmeyer
• 2012/02/04 [Pw_forum] Problem with parallel execution Elie M
• 2012/02/04 [Pw_forum] BEC from DFPT Paolo Giannozzi
• 2012/02/04 [Pw_forum] No plane waves Paolo Giannozzi
• 2012/02/04 [Pw_forum] No plane waves Paolo Giannozzi
• 2012/02/04 [Pw_forum] BEC from DFPT 程迎春
• 2012/02/03 [Pw_forum] No plane waves Payam Norouzzadeh
• 2012/02/03 [Pw_forum] Excited State Gradients in TDDFT Stefano Baroni
• 2012/02/03 [Pw_forum] Some questions on Electron Phonon Calculations. Paolo Giannozzi
• 2012/02/03 [Pw_forum] optimisation Paolo Giannozzi
• 2012/02/03 [Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2 Paolo Giannozzi
• 2012/02/03 [Pw_forum] segmentation fault in local.f90 line 228 PWCOND version 4.3.2 Xiaoguang Zhang
• 2012/02/03 [Pw_forum] optimisation bhabya sahoo
• 2012/02/03 [Pw_forum] need help on calculation... Axel Kohlmeyer
• 2012/02/03 [Pw_forum] error when restarting ph.x in the parallel computing mode Paolo Giannozzi
• 2012/02/03 [Pw_forum] how to calculate the total energy under load ? Paolo Giannozzi
• 2012/02/03 [Pw_forum] GGA+U: Sensitivity of occupation matrix Stefano Fabris

• Earlier messages
• Later messages