pw_forum  

Messages by Date

• 2012/06/04 [Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential Giuseppe Mattioli
• 2012/06/04 [Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential Vic Bermudez
• 2012/06/04 [Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential Giuseppe Mattioli
• 2012/06/04 [Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential Paolo Giannozzi
• 2012/06/04 [Pw_forum] no convergence on an image in neb calculation Paolo Giannozzi
• 2012/06/03 [Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential Lorenzo Paulatto
• 2012/06/03 [Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential Vic Bermudez
• 2012/06/03 [Pw_forum] How to get the most reliable dos/pdos results Iyad AL-QASIR
• 2012/06/03 [Pw_forum] How to get the most reliable dos/pdos results Stefano de Gironcoli
• 2012/06/03 [Pw_forum] How to get the most reliable dos/pdos results Peng Chen
• 2012/06/03 [Pw_forum] Finite Temperature Schr?dinger Equation. Nicki Frank Hinsche
• 2012/06/02 [Pw_forum] How to get the most reliable dos/pdos results Stefano Baroni
• 2012/06/02 [Pw_forum] How to get the most reliable dos/pdos results Peng Chen
• 2012/06/02 [Pw_forum] about the electron-phonon coefficients 李晓东
• 2012/06/02 [Pw_forum] Finite Temperature Schrödinger Equation. GAO Zhe
• 2012/06/02 [Pw_forum] Finite Temperature Schrödinger Equation. Hongsheng Zhao
• 2012/06/01 [Pw_forum] no convergence on an image in neb calculation Arles V. Gil Rebaza
• 2012/06/01 [Pw_forum] no convergence on an image in neb calculation Juliana Silva
• 2012/06/01 [Pw_forum] Convert fhi pseudo potential to upf Paolo Giannozzi
• 2012/06/01 [Pw_forum] Convert fhi pseudo potential to upf Stefano Baroni
• 2012/06/01 [Pw_forum] R: Re: R: Re: NOSYM tag + atomization energy [email protected]
• 2012/05/31 [Pw_forum] Convert fhi pseudo potential to upf James Mao
• 2012/05/31 [Pw_forum] R: Re: R: Re: NOSYM tag + atomization energy [email protected]
• 2012/05/31 [Pw_forum] problem with chdens with ibrav=0 Paolo Giannozzi
• 2012/05/31 [Pw_forum] erroe in compilation Espresso-5.0 Paolo Giannozzi
• 2012/05/31 [Pw_forum] R: Re: NOSYM tag + atomization energy Paolo Giannozzi
• 2012/05/31 [Pw_forum] R: Re: NOSYM tag + atomization energy [email protected]
• 2012/05/31 [Pw_forum] NOSYM tag Lorenzo Paulatto
• 2012/05/31 [Pw_forum] NOSYM tag [email protected]
• 2012/05/31 [Pw_forum] erroe in compilation Espresso-5.0 meghdad saeedian
• 2012/05/31 [Pw_forum] slow speed of D3 code david yang
• 2012/05/30 [Pw_forum] pwscf question- R-halide comparison Tony Phuc Hoang
• 2012/05/30 [Pw_forum] problem with chdens with ibrav=0 Guido Fratesi
• 2012/05/29 [Pw_forum] Do not match Lorenzo Paulatto
• 2012/05/29 [Pw_forum] Do not match Amir hosseini
• 2012/05/29 [Pw_forum] virtual states in TDDFT (turbo_lanczos.x) calculations Giuseppe Mattioli
• 2012/05/28 [Pw_forum] publication Layla Martin-Samos
• 2012/05/28 [Pw_forum] publication Paolo Giannozzi
• 2012/05/28 [Pw_forum] publication Sohail Ahmad
• 2012/05/28 [Pw_forum] virtual states in TDDFT (turbo_lanczos.x) calculations O. Baris Malcioglu
• 2012/05/27 [Pw_forum] starting and expecting charges are differ when using ph.x Peng Tao
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 Paolo Giannozzi
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 Axel Kohlmeyer
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 m
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 Paolo Giannozzi
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 m
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 Paolo Giannozzi
• 2012/05/27 [Pw_forum] linking to math libraries in QE 5.0 m
• 2012/05/27 [Pw_forum] piezoelectricity hamid hasanzadeh
• 2012/05/26 [Pw_forum] iotk error Sergey Samsonov
• 2012/05/26 [Pw_forum] band parallelization in QE Stefano Baroni
• 2012/05/25 [Pw_forum] band parallelization in QE jiayudai
• 2012/05/25 [Pw_forum] virtual states in TDDFT (turbo_lanczos.x) calculations Giuseppe Mattioli
• 2012/05/25 [Pw_forum] Using scalapack in PW/tests causes failures Paolo Giannozzi
• 2012/05/24 [Pw_forum] R: Re: HSE vs PBE Giuseppe Mattioli
• 2012/05/24 [Pw_forum] R: Re: HSE vs PBE [email protected]
• 2012/05/24 [Pw_forum] Change in the number of qe-forge users Michael Banck
• 2012/05/24 [Pw_forum] HSE vs PBE Giuseppe Mattioli
• 2012/05/24 [Pw_forum] zone boundary is not coming out correctly mayank gupta
• 2012/05/23 [Pw_forum] Using scalapack in PW/tests causes failures Paolo Giannozzi
• 2012/05/23 [Pw_forum] Problem...saw tooth like band structure for ZB GaN bramha pandey
• 2012/05/23 [Pw_forum] HSE vs PBE [email protected]
• 2012/05/23 [Pw_forum] Is spin polarized vdW-DF implemented in QE 5.0? Giuseppe Mattioli
• 2012/05/22 [Pw_forum] The phonon frequency unit in matdyn.x v5.0 GAO Zhe
• 2012/05/22 [Pw_forum] Is spin polarized vdW-DF implemented in QE 5.0? Sahar Mirshamsi
• 2012/05/22 [Pw_forum] Construction of PtH structure, wrong pointgroup problem Paolo Giannozzi
• 2012/05/22 [Pw_forum] Construction of PtH structure, wrong pointgroup problem Bahadir Altintas
• 2012/05/22 [Pw_forum] Construction of PtH structure, wrong pointgroup problem Paolo Giannozzi
• 2012/05/22 [Pw_forum] Construction of PtH structure, wrong pointgroup problem Bahadir Altintas
• 2012/05/22 [Pw_forum] Construction of PtH structure, wrong pointgroup problem Bahadir Altintas
• 2012/05/22 [Pw_forum] Using scalapack in PW/tests causes failures Jack Deslippe
• 2012/05/22 [Pw_forum] The phonon frequency unit in matdyn.x v5.0 Paolo Giannozzi
• 2012/05/22 [Pw_forum] GIPAW and nosymm Davide Ceresoli
• 2012/05/22 [Pw_forum] Pseudopotentials for Ga Giuseppe Mattioli
• 2012/05/22 [Pw_forum] GIPAW and nosymm Carlo Nervi
• 2012/05/22 [Pw_forum] Dielectric constant of metal oxides mayank gupta
• 2012/05/22 [Pw_forum] Pseudopotentials for Ga ramzi alaya
• 2012/05/22 [Pw_forum] A little energy gap (~ 0.2 eV) for graphene Lorenzo Paulatto
• 2012/05/22 [Pw_forum] Pseudopotentials for Pseudo-Hydrogens Gabriele Sclauzero
• 2012/05/22 [Pw_forum] Pseudopotentials for Pseudo-Hydrogens Gabriele Sclauzero
• 2012/05/22 [Pw_forum] Pseudopotentials for Pseudo-Hydrogens Paolo Giannozzi
• 2012/05/22 [Pw_forum] A little energy gap (~ 0.2 eV) for graphene Gabriele Sclauzero
• 2012/05/22 [Pw_forum] Pseudopotentials for Pseudo-Hydrogens Vic Bermudez
• 2012/05/22 [Pw_forum] A little energy gap (~ 0.2 eV) for graphene Cao TF
• 2012/05/21 [Pw_forum] The phonon frequency unit in matdyn.x v5.0 (sorry for the wrong Fig in last one) GAO Zhe
• 2012/05/21 [Pw_forum] The phonon frequency unit in matdyn.x v5.0 GAO Zhe
• 2012/05/21 [Pw_forum] A little energy gap (~ 0.2 eV) for graphene PJ Ren
• 2012/05/21 [Pw_forum] A little energy gap (~ 0.2 eV) for graphene xirainbow
• 2012/05/21 [Pw_forum] A little energy gap (~ 0.2 eV) for graphene Cao TF
• 2012/05/21 [Pw_forum] (no subject) Giuseppe Mattioli
• 2012/05/21 [Pw_forum] (no subject) ramzi alaya
• 2012/05/21 [Pw_forum] ld1.x and virtual.x compatibility Marino Vetuschi Zuccolini
• 2012/05/21 [Pw_forum] Error in getting the transmission results. Gabriele Sclauzero
• 2012/05/21 [Pw_forum] [Q-e-developers] Change in the number of qe-forge users Carlo Nervi
• 2012/05/21 [Pw_forum] Error in getting the transmission results. pankaj sahota
• 2012/05/20 [Pw_forum] Problem with NEB run Евгений Пермяков
• 2012/05/20 [Pw_forum] Problem with NEB run Paolo Giannozzi
• 2012/05/20 [Pw_forum] Problem with NEB run Евгений Пермяков
• 2012/05/20 [Pw_forum] ld1.x and virtual.x compatibility Paolo Giannozzi
• 2012/05/19 [Pw_forum] g77 compiler specification [email protected]
• 2012/05/19 [Pw_forum] g77 compiler specification Elie M
• 2012/05/19 [Pw_forum] Irreps and vibrational modes Elie M
• 2012/05/19 [Pw_forum] ld1.x and virtual.x compatibility Marino Vetuschi Zuccolini
• 2012/05/19 [Pw_forum] Reduced density gradient Davide Ceresoli
• 2012/05/18 [Pw_forum] Reduced density gradient jiayudai
• 2012/05/18 [Pw_forum] Fwd: Re: A long relaxation Pedro Augusto F. P. Moreira
• 2012/05/18 [Pw_forum] Splitting phonon calculation over q point and irr Lorenzo Paulatto
• 2012/05/18 [Pw_forum] [Q-e-developers] Change in the number of qe-forge users Filippo Spiga
• 2012/05/18 [Pw_forum] [Q-e-developers] [Pw_users] Change in the number of qe-forge users Nichols A. Romero
• 2012/05/18 [Pw_forum] symmetry operation not allowed karan deep
• 2012/05/18 [Pw_forum] Surface Band structure calculation Victor Meng'wa
• 2012/05/18 [Pw_forum] Help: About spin-polarization Giuseppe Mattioli
• 2012/05/18 [Pw_forum] Change in the behavior of "Reply" Paolo Giannozzi
• 2012/05/18 [Pw_forum] Help: About spin-polarization Paolo Giannozzi
• 2012/05/18 [Pw_forum] Help: About spin-polarization Giuseppe Mattioli
• 2012/05/18 [Pw_forum] Determining Bandgap with DOS Giuseppe Mattioli
• 2012/05/18 [Pw_forum] A long relaxation Guido Fratesi
• 2012/05/18 [Pw_forum] Determining Bandgap with DOS Guido Fratesi
• 2012/05/18 [Pw_forum] [Q-e-developers] [Pw_users] Change in the number of qe-forge users Layla Martin-Samos
• 2012/05/18 [Pw_forum] Quantum ESPRESSO Highlights 2011, thank s to all contributors Layla Martin-Samos
• 2012/05/17 [Pw_forum] Change in the number of qe-forge users Layla Martin-Samos
• 2012/05/17 [Pw_forum] Help: About spin-polarization Jia Chen
• 2012/05/17 [Pw_forum] Fwd: electron phonon bhabya sahoo
• 2012/05/17 [Pw_forum] Help: About spin-polarization Huazhong Liu
• 2012/05/17 [Pw_forum] Determining Bandgap with DOS Izaak Williamson
• 2012/05/17 [Pw_forum] A long relaxation Pedro Augusto F. P. Moreira
• 2012/05/17 [Pw_forum] Splitting phonon calculation over q point and irr Rui Mao
• 2012/05/17 [Pw_forum] Splitting phonon calculation over q point and irr Rui Mao
• 2012/05/17 [Pw_forum] Splitting phonon calculation over q point and irr Lorenzo Paulatto
• 2012/05/17 [Pw_forum] Reduced density gradient Davide Ceresoli
• 2012/05/17 [Pw_forum] Reduced density gradient jiayudai
• 2012/05/16 [Pw_forum] el-ph calculations Iyad AL-QASIR
• 2012/05/16 [Pw_forum] Questions on the warning message from relax calculation Paolo Giannozzi
• 2012/05/16 [Pw_forum] Splitting phonon calculation over q point and irr Paolo Giannozzi
• 2012/05/16 [Pw_forum] el-ph calculations Paolo Giannozzi
• 2012/05/16 [Pw_forum] Fwd: electron phonon bhabya sahoo
• 2012/05/16 [Pw_forum] requesting for thermodynamical properties Kondaiah Samudrala
• 2012/05/16 [Pw_forum] some help on D3 code Lorenzo Paulatto
• 2012/05/16 [Pw_forum] some help on D3 code david yang
• 2012/05/16 [Pw_forum] el-ph calculations Iyad AL-QASIR
• 2012/05/15 [Pw_forum] electron phonon Lorenzo Paulatto
• 2012/05/15 [Pw_forum] electron phonon bhabya sahoo
• 2012/05/15 [Pw_forum] Splitting phonon calculation over q point and irr Rui Mao
• 2012/05/15 [Pw_forum] Questions on the warning message from relax calculation Tram Bui
• 2012/05/15 [Pw_forum] (no subject) ramzi alaya
• 2012/05/15 [Pw_forum] radius of the "core" in pseudopotential Lorenzo Paulatto
• 2012/05/14 [Pw_forum] radius of the "core" in pseudopotential DONG Rui
• 2012/05/14 [Pw_forum] Irreps and vibrational modes Elie M
• 2012/05/14 [Pw_forum] Irreps and vibrational modes Paolo Giannozzi
• 2012/05/14 [Pw_forum] Quantum ESPRESSO release 5.0 Tone Kokalj
• 2012/05/14 [Pw_forum] Quantum ESPRESSO release 5.0 Layla Martin-Samos
• 2012/05/13 [Pw_forum] Irreps and vibrational modes Elie M
• 2012/05/13 [Pw_forum] Harris-Foulkes estimate Paolo Giannozzi
• 2012/05/13 [Pw_forum] Harris-Foulkes estimate bf azi
• 2012/05/13 [Pw_forum] Calculation of lattic constants and bulk modulus od w-ZnO Nicola Marzari
• 2012/05/12 [Pw_forum] Calculation of lattic constants and bulk modulus od w-ZnO mohnish pandey
• 2012/05/12 [Pw_forum] Calculation of lattic constants and bulk modulus od w-ZnO zafar rasheed
• 2012/05/12 [Pw_forum] error while installing QE Axel Kohlmeyer
• 2012/05/11 [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy Paolo Giannozzi
• 2012/05/11 [Pw_forum] error while installing QE Amrit Abhilash
• 2012/05/11 [Pw_forum] Shift in K points Paolo Giannozzi
• 2012/05/11 [Pw_forum] Choosing awin for planar average calculations Paolo Giannozzi
• 2012/05/11 [Pw_forum] Errors in PS-KS equation Paolo Giannozzi
• 2012/05/11 [Pw_forum] DOS per eV/volume pari shok
• 2012/05/11 [Pw_forum] Errors in PS-KS equation Giuseppe Mattioli
• 2012/05/11 [Pw_forum] occupations Gabriele Sclauzero
• 2012/05/10 [Pw_forum] Errors in PS-KS equation jia chen
• 2012/05/10 [Pw_forum] Errors in PS-KS equation jia chen
• 2012/05/10 [Pw_forum] symmetry of the electron-phonon coupling coefficients Alex Kutana
• 2012/05/10 [Pw_forum] symmetry of the electron-phonon coupling coefficients Stefano de Gironcoli
• 2012/05/10 [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy Paolo Giannozzi
• 2012/05/10 [Pw_forum] symmetry of the electron-phonon coupling coefficients Alex Kutana
• 2012/05/10 [Pw_forum] occupations Lorenzo Paulatto
• 2012/05/10 [Pw_forum] occupations bf azi
• 2012/05/10 [Pw_forum] Choosing awin for planar average calculations Izaak Williamson
• 2012/05/10 [Pw_forum] Pw_forum Digest, Vol 59, Issue 20 Magdalena Birowska
• 2012/05/10 [Pw_forum] Pw_forum Digest, Vol 59, Issue 19 Magdalena Birowska
• 2012/05/10 [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy Giuseppe Mattioli
• 2012/05/10 [Pw_forum] Shift in K points manoj narayanan
• 2012/05/10 [Pw_forum] GaAs surface with fractional charges H Zval=1.25, very large estimated scf accuracy Magdalena Birowska
• 2012/05/09 [Pw_forum] quick question about the input file for phonon calculations at a point Elie M
• 2012/05/09 [Pw_forum] quick question about the input file for phonon calculations at a point Stefano de Gironcoli
• 2012/05/09 [Pw_forum] quick question about the input file for phonon calculations at a point Ajit Vallabhaneni
• 2012/05/09 [Pw_forum] quick question about the input file for phonon calculations at a point Elie M
• 2012/05/09 [Pw_forum] DOS per eV per volume Guido Fratesi
• 2012/05/09 [Pw_forum] About Elastic Constants ? Nicola Marzari
• 2012/05/09 [Pw_forum] About Elastic Constants ? Michael Mehl
• 2012/05/09 [Pw_forum] cutoff convergence of sapphire for elastic properties Michael Mehl
• 2012/05/09 [Pw_forum] DOS per eV per volume pari shok
• 2012/05/09 [Pw_forum] About Elastic Constants ? zafar rasheed
• 2012/05/08 [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP Giovani Faccin
• 2012/05/08 [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP Lorenzo Paulatto
• 2012/05/08 [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP Giovani Faccin
• 2012/05/08 [Pw_forum] cutoff convergence of sapphire for elastic properties Axel Kohlmeyer
• 2012/05/08 [Pw_forum] cutoff convergence of sapphire for elastic properties Nicola Marzari
• 2012/05/08 [Pw_forum] cutoff convergence of sapphire for elastic properties Jörg Buchwald
• 2012/05/08 [Pw_forum] regarding weight factor Paolo Giannozzi
• 2012/05/08 [Pw_forum] HSE&PBE0 problem Paolo Giannozzi
• 2012/05/08 [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP Lorenzo Paulatto
• 2012/05/08 [Pw_forum] Regarding anharmonic IFCs Lorenzo Paulatto

• Earlier messages
• Later messages