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• 2012/05/08 [Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP Sven Heiles
• 2012/05/08 [Pw_forum] too many bands are not converged bf azi
• 2012/05/07 [Pw_forum] Regarding anharmonic IFCs david yang
• 2012/05/07 [Pw_forum] cutoff convergence of sapphire for elastic properties Mike Mehl
• 2012/05/07 [Pw_forum] cutoff convergence of sapphire for elastic properties Nicola Marzari
• 2012/05/07 [Pw_forum] cutoff convergence of sapphire for elastic properties Jörg Buchwald
• 2012/05/07 [Pw_forum] cutoff convergence of sapphire for elastic properties Jörg Buchwald
• 2012/05/07 [Pw_forum] HSE&PBE0 problem Layla Martin-Samos
• 2012/05/07 [Pw_forum] HSE&PBE0 problem debbichi mourad
• 2012/05/07 [Pw_forum] Magnetic susceptibility in GIPAW calculation Davide Ceresoli
• 2012/05/06 [Pw_forum] Magnetic susceptibility in GIPAW calculation Peng Tao
• 2012/05/06 [Pw_forum] QHA compilation Lorenzo Paulatto
• 2012/05/06 [Pw_forum] smearing and electronic temperture Stefano Baroni
• 2012/05/06 [Pw_forum] Work function calculation Stefano Baroni
• 2012/05/06 [Pw_forum] QHA compilation Abolore Musari
• 2012/05/05 [Pw_forum] smearing and electronic temperture bhabya sahoo
• 2012/05/05 [Pw_forum] Work function calculation vasudevan m.v
• 2012/05/05 [Pw_forum] QHA compilation Abolore Musari
• 2012/05/05 [Pw_forum] HSE&PBE0 problem debbichi mourad
• 2012/05/04 [Pw_forum] band structur somayeh fotohi
• 2012/05/04 [Pw_forum] Force constants Dhruv Singh
• 2012/05/04 [Pw_forum] Conversion from conventional to primitive cell Peng Chen
• 2012/05/04 [Pw_forum] Force constants Iyad AL-QASIR
• 2012/05/04 [Pw_forum] regarding weight factor [email protected]
• 2012/05/04 [Pw_forum] PAW pseudopotential with gipaw reconstruction Giuseppe Mattioli
• 2012/05/04 [Pw_forum] PAW pseudopotential with gipaw reconstruction Guido Fratesi
• 2012/05/04 [Pw_forum] Conversion from conventional to primitive cell GAO Zhe
• 2012/05/04 [Pw_forum] Conversion from conventional to primitive cell Peng Chen
• 2012/05/04 [Pw_forum] PAW pseudopotential with gipaw reconstruction Giuseppe Mattioli
• 2012/05/04 [Pw_forum] PAW pseudopotential with gipaw reconstruction Giuseppe Mattioli
• 2012/05/04 [Pw_forum] V_tot potential curve of vdw-DF is not smooth away from nuclei PJ Ren
• 2012/05/03 [Pw_forum] How can I get the Tc Hopfield parameter and the average of the squared phonon frequencies. Wei Zhou
• 2012/05/03 [Pw_forum] chemical potential of an element vicky singh
• 2012/05/03 [Pw_forum] Polarization vectors and force constants file format Iyad AL-QASIR
• 2012/05/03 [Pw_forum] PAW pseudopotential with gipaw reconstruction Giuseppe Mattioli
• 2012/05/03 [Pw_forum] nk1,nk2,nk3 selection rule for HCP Stefano de Gironcoli
• 2012/05/03 [Pw_forum] nk1,nk2,nk3 selection rule for HCP Divya Srivastava
• 2012/05/02 [Pw_forum] benzoic acid structure optimization matt reish
• 2012/05/02 [Pw_forum] KZK functional Paolo Giannozzi
• 2012/05/02 [Pw_forum] Job Termination and convergence Simon Binnie
• 2012/05/02 [Pw_forum] Job Termination and convergence Victor Meng'wa
• 2012/05/02 [Pw_forum] benzoic acid structure optimization Axel Kohlmeyer
• 2012/05/02 [Pw_forum] KZK functional Sam Azadi
• 2012/05/02 [Pw_forum] benzoic acid structure optimization Giuseppe Mattioli
• 2012/05/01 [Pw_forum] benzoic acid structure optimization mohnish pandey
• 2012/05/01 [Pw_forum] benzoic acid structure optimization matt reish
• 2012/05/01 [Pw_forum] benzoic acid structure optimization Axel Kohlmeyer
• 2012/05/01 [Pw_forum] benzoic acid structure optimization matt reish
• 2012/05/01 [Pw_forum] absorption Stefano de Gironcoli
• 2012/05/01 [Pw_forum] absorption bf azi
• 2012/05/01 [Pw_forum] Regarding instillation problem in cluster system Axel Kohlmeyer
• 2012/05/01 [Pw_forum] Regarding instillation problem in cluster system [email protected]
• 2012/05/01 [Pw_forum] PP conversion from ABINIT format to UPF format Paolo Giannozzi
• 2012/05/01 [Pw_forum] PP conversion from ABINIT format to UPF format mayank gupta
• 2012/04/30 [Pw_forum] problems in generating pseudopotentials mohamed makhyoun
• 2012/04/30 [Pw_forum] download MD Slides from QE website? Sonu Kumar
• 2012/04/30 [Pw_forum] Input preparation Vasumathi Velachi
• 2012/04/30 [Pw_forum] Input help Simon Binnie
• 2012/04/30 [Pw_forum] download MD Slides from QE website? Paolo Giannozzi
• 2012/04/30 [Pw_forum] download MD Slides from QE website? Sonu Kumar
• 2012/04/30 [Pw_forum] Input help Paolo Giannozzi
• 2012/04/30 [Pw_forum] Input help matt reish
• 2012/04/30 [Pw_forum] optical properties (bhabya sahoo) Eduardo Ariel Menendez Proupin
• 2012/04/29 [Pw_forum] optical properties bhabya sahoo
• 2012/04/29 [Pw_forum] absorption bf azi
• 2012/04/27 [Pw_forum] Error band structure Peng Tao
• 2012/04/27 [Pw_forum] question report 孟祥颖
• 2012/04/27 [Pw_forum] pw bands calculation crash Paolo Giannozzi
• 2012/04/27 [Pw_forum] convergence not achieved .related problem m rostami
• 2012/04/27 [Pw_forum] pw bands calculation crash Davide Tiana
• 2012/04/27 [Pw_forum] convergence NOT achieved after 100 iterations --- related question Hande Ustunel
• 2012/04/27 [Pw_forum] convergence NOT achieved after 100 iterations --- related question Nicola Marzari
• 2012/04/27 [Pw_forum] convergence NOT achieved after 100 iterations --- related question Hande Ustunel
• 2012/04/27 [Pw_forum] convergence NOT achieved after 100 iterations: stopping GAO Zhe
• 2012/04/27 [Pw_forum] query on kpoints.x Paolo Giannozzi
• 2012/04/27 [Pw_forum] convergence NOT achieved after 100 iterations: stopping Paolo Giannozzi
• 2012/04/27 [Pw_forum] k-point bf azi
• 2012/04/26 [Pw_forum] convergence NOT achieved after 100 iterations: stopping Shruba Gangopadhyay
• 2012/04/26 [Pw_forum] convergence NOT achieved after 100 iterations: stopping Cao TF
• 2012/04/26 [Pw_forum] Error in running the scf calculation with espresso-4.2 Paolo Giannozzi
• 2012/04/26 [Pw_forum] hse performance ali kazempour
• 2012/04/26 [Pw_forum] hse performance [email protected]
• 2012/04/25 [Pw_forum] Error in running the scf calculation with espresso-4.2 pankaj sahota
• 2012/04/25 [Pw_forum] Error band structure Stefano de Gironcoli
• 2012/04/25 [Pw_forum] Error band structure Said Asma
• 2012/04/25 [Pw_forum] Contents of Pw_forum Digest, Vol 58, Issue 41Re: using Octave or GDIS to make the surface (m) Davide Tiana
• 2012/04/24 [Pw_forum] query on kpoints.x Ajit Vallabhaneni
• 2012/04/24 [Pw_forum] using Octave or GDIS to make the surface meghdad saeedian
• 2012/04/24 [Pw_forum] Testing subscription Layla Martin-Samos
• 2012/04/24 [Pw_forum] using Octave or GDIS to make the surface m
• 2012/04/23 [Pw_forum] using Octave or GDIS to make the surface meghdad saeedian
• 2012/04/23 [Pw_forum] Home page: problem to load Pedro Augusto F. P. Moreira
• 2012/04/23 [Pw_forum] Testing subscription R.C.Pasianot
• 2012/04/22 [Pw_forum] Fw: Re: mp vs mv Farzad Molani
• 2012/04/22 [Pw_forum] Home page: problem to load Giovani Faccin
• 2012/04/22 [Pw_forum] mp vs mv Axel Kohlmeyer
• 2012/04/22 [Pw_forum] XSPECTRA calculations of molecules Giuseppe Mattioli
• 2012/04/22 [Pw_forum] mp vs mv Farzad Molani
• 2012/04/22 [Pw_forum] mp vs mv Nicola Marzari
• 2012/04/22 [Pw_forum] mp vs mv Farzad Molani
• 2012/04/21 [Pw_forum] on the way of approximating a large slab Yavar Taghipour Azar
• 2012/04/21 [Pw_forum] Home page: problem to load Pedro Augusto F. P. Moreira
• 2012/04/21 [Pw_forum] Fe pseudopotential (pslibrary) test failed Andrea Dal Corso
• 2012/04/20 [Pw_forum] Fe pseudopotential (pslibrary) test failed Paolo Giannozzi
• 2012/04/20 [Pw_forum] Fe pseudopotential (pslibrary) test failed Peng Chen
• 2012/04/20 [Pw_forum] LDA+U with phonon Layla Martin-Samos
• 2012/04/20 [Pw_forum] LDA+U with phonon Sanjeev Gupta
• 2012/04/20 [Pw_forum] Problem in vc-relax, radial FFT Lorenzo Paulatto
• 2012/04/20 [Pw_forum] Problem in vc-relax, radial FFT Maxim Popov
• 2012/04/20 [Pw_forum] Problem in vc-relax, radial FFT Ali ALLAM
• 2012/04/20 [Pw_forum] Re : Band gap of BN (zinc blende) Layla Martin-Samos
• 2012/04/19 [Pw_forum] Pw_forum Digest, Vol 58, Issue 33 YY
• 2012/04/19 [Pw_forum] error in volume calculation in ibrav=7 Guido Fratesi
• 2012/04/19 [Pw_forum] error in volume calculation in ibrav=7 bramha pandey
• 2012/04/19 [Pw_forum] on the way of approximating a large slab Guido Fratesi
• 2012/04/19 [Pw_forum] on the way of approximating a large slab Yavar Taghipour Azar
• 2012/04/19 [Pw_forum] Error band structure Said Asma
• 2012/04/19 [Pw_forum] How to get atomic positions for TiO2 Lorenzo Paulatto
• 2012/04/19 [Pw_forum] How to get atomic positions for TiO2 Olayinka, Samson A.
• 2012/04/19 [Pw_forum] regarding problem in bands structure calculation Paolo Giannozzi
• 2012/04/19 [Pw_forum] About the size of electrode Alex Smogunov
• 2012/04/18 [Pw_forum] regarding problem in bands structure calculation jagaran Acharya
• 2012/04/18 [Pw_forum] lambda(omega) bahadir
• 2012/04/18 [Pw_forum] phonon dynamical matrix and eigenvectors Paolo Giannozzi
• 2012/04/18 [Pw_forum] lambda(omega) Paolo Giannozzi
• 2012/04/18 [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA) Paolo Giannozzi
• 2012/04/18 [Pw_forum] supercell in matdyn.x Paolo Giannozzi
• 2012/04/18 [Pw_forum] lambda(omega) bahadir
• 2012/04/18 [Pw_forum] lambda(omega) bahadir
• 2012/04/18 [Pw_forum] About the size of electrode pankaj sahota
• 2012/04/18 [Pw_forum] ecutrho in phonon calculations [email protected]
• 2012/04/18 [Pw_forum] ecutrho in phonon calculations YY
• 2012/04/18 [Pw_forum] Re : Band gap of BN (zinc blende) Said Asma
• 2012/04/18 [Pw_forum] (no subject) Layla Martin-Samos
• 2012/04/18 [Pw_forum] (no subject) Said Asma
• 2012/04/18 [Pw_forum] bismuth fully relativistic pseudopotential needed GAO Zhe
• 2012/04/18 [Pw_forum] two program logic questions in TDDFPT kuilin lu
• 2012/04/18 [Pw_forum] supercell in matdyn.x babr aram
• 2012/04/18 [Pw_forum] Error in getting the transmission while doing the transport calculation pankaj sahota
• 2012/04/18 [Pw_forum] piezoelectric Amir hosseini
• 2012/04/18 [Pw_forum] bismuth fully relativistic pseudopotential needed 陈建勇
• 2012/04/18 [Pw_forum] Fwd: epsilon.x Layla Martin-Samos
• 2012/04/18 [Pw_forum] epsilon.x Layla Martin-Samos
• 2012/04/18 [Pw_forum] epsilon.x debbichi mourad
• 2012/04/18 [Pw_forum] (no subject) debbichi mourad
• 2012/04/18 [Pw_forum] serial or parallel computation in electron-phonon matrix integration Paolo Giannozzi
• 2012/04/17 [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA) Paolo Giannozzi
• 2012/04/17 [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer Elie M
• 2012/04/17 [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer Axel Kohlmeyer
• 2012/04/17 [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer Elie M
• 2012/04/17 [Pw_forum] serial or parallel computation in electron-phonon matrix integration Junhyeok Bang
• 2012/04/17 [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer Axel Kohlmeyer
• 2012/04/17 [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer Elie M
• 2012/04/17 [Pw_forum] Regarding GAMMA kpoint bramha pandey
• 2012/04/17 [Pw_forum] DLASCL error on some architectures/QE versions Rodrigo Neumann
• 2012/04/17 [Pw_forum] two program logic questions in TDDFPT Simon Binnie
• 2012/04/17 [Pw_forum] neb.x and -ndiag option Layla Martin-Samos
• 2012/04/16 [Pw_forum] forming supercell for a (10, 0) nanotube attached to polymers and oligomers Elie M
• 2012/04/16 [Pw_forum] phonon dynamical matrix and eigenvectors Bo Qiu
• 2012/04/16 [Pw_forum] neb.x and -ndiag option Axel Kohlmeyer
• 2012/04/16 [Pw_forum] neb.x and -ndiag option Giuseppe Mattioli
• 2012/04/16 [Pw_forum] neb.x and -ndiag option Paolo Giannozzi
• 2012/04/16 [Pw_forum] neb.x and -ndiag option Giuseppe Mattioli
• 2012/04/16 [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet Paolo Giannozzi
• 2012/04/16 [Pw_forum] problem regrading convergence bramha pandey
• 2012/04/16 [Pw_forum] visualizing results of molecular dynamics using XCRYSDEN Tone Kokalj
• 2012/04/16 [Pw_forum] PWgui utility Paolo Giannozzi
• 2012/04/16 [Pw_forum] ecutrho in phonon calculations Paolo Giannozzi
• 2012/04/16 [Pw_forum] Tunneling density of states using pwcond Alex Smogunov
• 2012/04/16 [Pw_forum] two program logic questions in TDDFPT kuilin lu
• 2012/04/16 [Pw_forum] freeing memory after end of pw.x calculation Marcos Veríssimo Alves
• 2012/04/16 [Pw_forum] freeing memory after end of pw.x calculation Marcos Veríssimo Alves
• 2012/04/15 [Pw_forum] freeing memory after end of pw.x calculation Lorenzo Paulatto
• 2012/04/15 [Pw_forum] freeing memory after end of pw.x calculation Marcos Veríssimo Alves
• 2012/04/15 [Pw_forum] vizualizing the molecular dynamics of graphene Elie M
• 2012/04/15 [Pw_forum] problem regrading convergence Lorenzo Paulatto
• 2012/04/15 [Pw_forum] problem regrading convergence Layla Martin-Samos
• 2012/04/15 [Pw_forum] problem regrading convergence bramha pandey
• 2012/04/14 [Pw_forum] visualizing results of molecular dynamics using XCRYSDEN Elie M
• 2012/04/14 [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing Nicola Marzari
• 2012/04/14 [Pw_forum] Tunneling density of states using pwcond Jonathan Trinastic
• 2012/04/14 [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing Hans Lind
• 2012/04/13 [Pw_forum] offset in QE 4.2 and QE 4.3 Paolo Giannozzi
• 2012/04/13 [Pw_forum] (no subject) Paolo Giannozzi
• 2012/04/13 [Pw_forum] (no subject) debbichi mourad
• 2012/04/13 [Pw_forum] Querry abou the kpoints in transport calculations Gabriele Sclauzero
• 2012/04/13 [Pw_forum] Query on band crossing Paolo Giannozzi
• 2012/04/13 [Pw_forum] Serial Diagonalization Paolo Giannozzi
• 2012/04/13 [Pw_forum] Serial Diagonalization Paul Jennings
• 2012/04/13 [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing Hans Lind
• 2012/04/13 [Pw_forum] Query on band crossing Ajit Vallabhaneni
• 2012/04/13 [Pw_forum] hybrid phonons Layla Martin-Samos
• 2012/04/13 [Pw_forum] error in average.x calculation Paolo Giannozzi
• 2012/04/13 [Pw_forum] Force criteria for relaxation Guido Fratesi
• 2012/04/12 [Pw_forum] offset in QE 4.2 and QE 4.3 Hanghui Chen
• 2012/04/12 [Pw_forum] Force criteria for relaxation Payam Norouzzadeh
• 2012/04/12 [Pw_forum] error in average.x calculation Tram Bui
• 2012/04/12 [Pw_forum] ecutrho in phonon calculations YY
• 2012/04/12 [Pw_forum] Serial Diagonalization Paolo Giannozzi
• 2012/04/12 [Pw_forum] PWgui utility Sohail Ahmad

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