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• 2012/12/13 [Pw_forum] all-electron relaxation David Grifith
• 2012/12/13 [Pw_forum] EFG calculation with GIPAW psudopotentials Arles V. Gil Rebaza
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Steve Schmerler
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Paolo Giannozzi
• 2012/12/13 [Pw_forum] all-electron relaxation Giuseppe Mattioli
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Steve Schmerler
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Lorenzo Paulatto
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Paolo Giannozzi
• 2012/12/13 [Pw_forum] all-electron relaxation David Grifith
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Yao Yao
• 2012/12/13 [Pw_forum] error: "ortho went bananas" in cp.x run Bramha Pandey
• 2012/12/13 [Pw_forum] unit of mode vectors in matdyn.modes Steve Schmerler
• 2012/12/13 [Pw_forum] error: "ortho went bananas" in cp.x run Bramha Pandey
• 2012/12/13 [Pw_forum] error: "ortho went bananas" in cp.x run Lorenzo Paulatto
• 2012/12/13 [Pw_forum] error: "ortho went bananas" in cp.x run Layla Martin-Samos
• 2012/12/13 [Pw_forum] error: "ortho went bananas" in cp.x run Bramha Pandey
• 2012/12/13 [Pw_forum] documentation for dynmat.x Layla Martin-Samos
• 2012/12/13 [Pw_forum] EELNE Spectra Matteo Calandra
• 2012/12/12 [Pw_forum] error: "ortho went bananas" in cp.x run Paolo Giannozzi
• 2012/12/12 [Pw_forum] Extracting charge density difference Yusuf Zuntu
• 2012/12/12 [Pw_forum] error: "ortho went bananas" in cp.x run Bramha Pandey
• 2012/12/12 [Pw_forum] problem with plotband.x Alfredo Ramirez
• 2012/12/12 [Pw_forum] documentation for dynmat.x David Strubbe
• 2012/12/12 [Pw_forum] EELNE Spectra Sanjeev Gupta
• 2012/12/12 [Pw_forum] contradictory results of electron-phonon interaction for different k-grids 高淼
• 2012/12/12 [Pw_forum] problem with plotband.x Surender
• 2012/12/12 [Pw_forum] error: "ortho went bananas" in cp.x run Emine Kucukbenli
• 2012/12/12 [Pw_forum] error: "ortho went bananas" in cp.x run Bramha Pandey
• 2012/12/12 [Pw_forum] contradictory results of electron-phonon interaction for different k-grids Lorenzo Paulatto
• 2012/12/11 [Pw_forum] contradictory results of electron-phonon interaction for different k-grids 高淼
• 2012/12/11 [Pw_forum] make.sys for the new machine: IDRIS - ADA Emine Kucukbenli
• 2012/12/11 [Pw_forum] Energy window in STM simulation Gabriele Sclauzero
• 2012/12/11 [Pw_forum] Energy window in STM simulation David Pullman
• 2012/12/11 [Pw_forum] error: "ortho went bananas" in cp.x run Emine Kucukbenli
• 2012/12/11 [Pw_forum] grid.1 and mgrid [email protected]
• 2012/12/11 [Pw_forum] grid.1 and mgrid Axel Kohlmeyer
• 2012/12/11 [Pw_forum] grid.1 and mgrid [email protected]
• 2012/12/10 [Pw_forum] error: "ortho went bananas" in cp.x run Paolo Giannozzi
• 2012/12/10 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download German Samolyuk
• 2012/12/10 [Pw_forum] Energy window in STM simulation Gabriele Sclauzero
• 2012/12/10 [Pw_forum] Smearing Nicola Marzari
• 2012/12/10 [Pw_forum] Smearing Manoj Narayanan
• 2012/12/10 [Pw_forum] R_Cut in pseudopotentials in QE website Paolo Giannozzi
• 2012/12/09 [Pw_forum] R_Cut in pseudopotentials in QE website david furman
• 2012/12/09 [Pw_forum] Energy window in STM simulation David Pullman
• 2012/12/08 [Pw_forum] Lattice Parameters in Supercell Yao Yao
• 2012/12/08 [Pw_forum] error: "ortho went bananas" in cp.x run Bramha Pandey
• 2012/12/08 [Pw_forum] 回复: Re: from read_namelists : error # 17 Paolo Giannozzi
• 2012/12/08 [Pw_forum] 回复: Re: from read_namelists : error # 17 Stefano Baroni
• 2012/12/08 [Pw_forum] 回复: Re: from read_namelists : error # 17 robinshy
• 2012/12/08 [Pw_forum] 回复: Re: from read_namelists : error # 17 robinshy
• 2012/12/08 [Pw_forum] problems with examples for bands.x Paolo Giannozzi
• 2012/12/08 [Pw_forum] from read_namelists : error # 17 Paolo Giannozzi
• 2012/12/08 [Pw_forum] Compute Debye temperature Yue-Wen Fang
• 2012/12/08 [Pw_forum] problems with examples for bands.x Paolo Giannozzi
• 2012/12/08 [Pw_forum] Lattice Parameters in Supercell Angga Fauzi
• 2012/12/07 [Pw_forum] from read_namelists : error # 17 Stefano Baroni
• 2012/12/07 [Pw_forum] from read_namelists : error # 17 robinshy
• 2012/12/07 [Pw_forum] Further reduce disk IO for ph.x Yao Yao
• 2012/12/07 [Pw_forum] problems with examples for bands.x Siarhei Samsonau
• 2012/12/07 [Pw_forum] problems with examples for bands.x David Strubbe
• 2012/12/07 [Pw_forum] Fwd: Call for candidacy at PIIM Laboratory - CNRS position Paolo Giannozzi
• 2012/12/07 [Pw_forum] set_hubbard_l.f90 Prasenjit Ghosh
• 2012/12/07 [Pw_forum] set_hubbard_l.f90 Burak Himmetoglu
• 2012/12/07 [Pw_forum] set_hubbard_l.f90 Prasenjit Ghosh
• 2012/12/07 [Pw_forum] binding energy for bundle nanotubes marziyeh khodadad
• 2012/12/07 [Pw_forum] Further reduce disk IO for ph.x Paolo Giannozzi
• 2012/12/07 [Pw_forum] old references for examples Paolo Giannozzi
• 2012/12/07 [Pw_forum] Compute Debye temperature Sanjeev Gupta
• 2012/12/07 [Pw_forum] polarizability calculation Paolo Giannozzi
• 2012/12/07 [Pw_forum] Compute Debye temperature Yue-Wen Fang
• 2012/12/06 [Pw_forum] (no subject) Yue-Wen Fang
• 2012/12/06 [Pw_forum] Further reduce disk IO for ph.x Axel Kohlmeyer
• 2012/12/06 [Pw_forum] Further reduce disk IO for ph.x Yao Yao
• 2012/12/06 [Pw_forum] polarizability calculation Olga Sedelnikova
• 2012/12/06 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Ivan Girotto
• 2012/12/06 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download German Samolyuk
• 2012/12/06 [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0 Layla Martin-Samos
• 2012/12/06 [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0 Axel Kohlmeyer
• 2012/12/06 [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0 Paolo Giannozzi
• 2012/12/06 [Pw_forum] Best strategy to calculate band gap Yura Vishnevskiy
• 2012/12/06 [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0 Lorenzo Paulatto
• 2012/12/06 [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0 ruchir behal
• 2012/12/06 [Pw_forum] Not Quite Yet [was: NRL Crystal Web Site Back on Line] Michael Mehl
• 2012/12/06 [Pw_forum] NRL Crystal Web Site Back on Line Michael Mehl
• 2012/12/06 [Pw_forum] Best strategy to calculate band gap Stefano Baroni
• 2012/12/06 [Pw_forum] Best strategy to calculate band gap Yury Vishnevskiy
• 2012/12/06 [Pw_forum] inadequate format statements in PHonon Andrea Dal Corso
• 2012/12/05 [Pw_forum] Difference in Total energies! Stefano Baroni
• 2012/12/05 [Pw_forum] Difference in Total energies! Balaji Ramanujam
• 2012/12/05 [Pw_forum] old references for examples David Strubbe
• 2012/12/05 [Pw_forum] inadequate format statements in PHonon David Strubbe
• 2012/12/05 [Pw_forum] (no subject) marziyeh khodadad
• 2012/12/05 [Pw_forum] (no subject) Paolo Giannozzi
• 2012/12/05 [Pw_forum] Pw_forum Digest, Vol 66, Issue 10 Satyananda Chab
• 2012/12/05 [Pw_forum] (no subject) marziyeh khodadad
• 2012/12/04 [Pw_forum] questions on an interfacial energy calculation Tram Bui
• 2012/12/04 [Pw_forum] (no subject) Paolo Giannozzi
• 2012/12/04 [Pw_forum] Fwd: error while plotting Phonon Paolo Giannozzi
• 2012/12/04 [Pw_forum] problem with field zahra vatankhah
• 2012/12/04 [Pw_forum] Fwd: error while plotting Phonon Abolore Musari
• 2012/12/03 [Pw_forum] Fwd: how to do cluster calculation-shiva Shiva Shankari
• 2012/12/03 [Pw_forum] how to do cluster calculation-shiva Shiva Shankari
• 2012/12/03 [Pw_forum] DOS calculation marziyeh khodadad
• 2012/12/03 [Pw_forum] (no subject) marziyeh khodadad
• 2012/12/03 [Pw_forum] ph.x: diagonalization (ZHEGV*) failed at some q-points Paolo Giannozzi
• 2012/12/03 [Pw_forum] vc-relax calculation marziyeh khodadad
• 2012/12/03 [Pw_forum] ph.x: diagonalization (ZHEGV*) failed at some q-points Thomas Gruber
• 2012/12/03 [Pw_forum] K_POINTS automatic zahra vatankhah
• 2012/12/03 [Pw_forum] K_POINTS automatic Lorenzo Paulatto
• 2012/12/03 [Pw_forum] Error in routine cp_read_cell (1) Bramha Pandey
• 2012/12/03 [Pw_forum] Error in routine cp_read_cell (1) Paolo Giannozzi
• 2012/12/03 [Pw_forum] K_POINTS automatic zahra vatankhah
• 2012/12/03 [Pw_forum] Error while running tests and examples manoj panwar
• 2012/12/03 [Pw_forum] Error while running tests and examples Lorenzo Paulatto
• 2012/12/03 [Pw_forum] Error in routine cp_read_cell (1) Bramha Pandey
• 2012/12/03 [Pw_forum] Error while running tests and examples Lorenzo Paulatto
• 2012/12/03 [Pw_forum] Error while running tests and examples manoj panwar
• 2012/12/03 [Pw_forum] K_POINTS automatic Giuseppe Mattioli
• 2012/12/03 [Pw_forum] K_POINTS automatic Lorenzo Paulatto
• 2012/12/03 [Pw_forum] K_POINTS automatic Paolo Giannozzi
• 2012/12/03 [Pw_forum] Scalapack and QE Integration Problem Paolo Giannozzi
• 2012/12/03 [Pw_forum] Scalapack and QE Integration Problem Iwan Darmadi
• 2012/12/03 [Pw_forum] K_POINTS automatic zahra vatankhah
• 2012/12/03 [Pw_forum] K_POINTS automatic Lorenzo Paulatto
• 2012/12/03 [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos) Paolo Giannozzi
• 2012/12/03 [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos) Layla Martin-Samos
• 2012/12/03 [Pw_forum] K_POINTS automatic zahra vatankhah
• 2012/12/02 [Pw_forum] U calculation in GGA+U Peng Chen
• 2012/12/02 [Pw_forum] U calculation in GGA+U Matteo Cococcioni
• 2012/12/02 [Pw_forum] U calculation in GGA+U Peng Chen
• 2012/12/02 [Pw_forum] Error in routine cp_read_cell (1) Bramha Pandey
• 2012/12/02 [Pw_forum] Error in routine cp_read_cell (1) Paolo Giannozzi
• 2012/12/02 [Pw_forum] Error in routine cp_read_cell (1) Bramha Pandey
• 2012/12/02 [Pw_forum] Error in routine cp_read_cell (1) Paolo Giannozzi
• 2012/12/02 [Pw_forum] Error in routine cp_read_cell (1) Bramha Pandey
• 2012/12/01 [Pw_forum] about the phonon density of states projected onto atom in BZ. Tian Lan
• 2012/12/01 [Pw_forum] about the phonon density of states projected onto atom in BZ. Y. L. Li
• 2012/12/01 [Pw_forum] ev.x problem with MgO Paolo Giannozzi
• 2012/12/01 [Pw_forum] ev.x problem with MgO Bramha Pandey
• 2012/12/01 [Pw_forum] ev.x problem with MgO Sakhrawi Taoufek
• 2012/12/01 [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities? Davide Ceresoli
• 2012/12/01 [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities? Paolo Giannozzi
• 2012/11/30 [Pw_forum] Convergence of dos near band edge Bo Qiu
• 2012/11/30 [Pw_forum] Convergence of dos near band edge Bo Qiu
• 2012/11/30 [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities? Tian Lan
• 2012/11/30 [Pw_forum] Convergence of dos near band edge Stefano Baroni
• 2012/11/30 [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities? Alexey Akimov
• 2012/11/30 [Pw_forum] D3.x limited to Gamma point? Badescu, Stefan
• 2012/11/30 [Pw_forum] Convergence of dos near band edge Bo Qiu
• 2012/11/30 [Pw_forum] D3.x limited to Gamma point? Stefano Baroni
• 2012/11/30 [Pw_forum] D3.x limited to Gamma point? Badescu, Stefan
• 2012/11/30 [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic Bramha Pandey
• 2012/11/30 [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic Paolo Giannozzi
• 2012/11/30 [Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241) Paolo Giannozzi
• 2012/11/30 [Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241) Bramha Pandey
• 2012/11/30 [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic Bramha Pandey
• 2012/11/30 [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic Paolo Giannozzi
• 2012/11/30 [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic Bramha Pandey
• 2012/11/29 [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities? Tian Lan
• 2012/11/29 [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos) Tsogbadrakh N
• 2012/11/29 [Pw_forum] problem with field pari shok
• 2012/11/29 [Pw_forum] Efermi in band structure calculations C
• 2012/11/29 [Pw_forum] Efermi in band structure calculations C
• 2012/11/29 [Pw_forum] Efermi in band structure calculations Paolo Giannozzi
• 2012/11/29 [Pw_forum] Efermi in band structure calculations Mohsen Modaresi
• 2012/11/29 [Pw_forum] Efermi in band structure calculations C
• 2012/11/29 [Pw_forum] Efermi in band structure calculations Sanjeev Gupta
• 2012/11/29 [Pw_forum] Efermi in band structure calculations C
• 2012/11/29 [Pw_forum] [Support] Issue with cppp.x in QE CPMD Paolo Giannozzi
• 2012/11/29 [Pw_forum] [Support] Issue with cppp.x in QE CPMD Paolo Giannozzi
• 2012/11/29 [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos) Eduardo Ariel Menendez Proupin
• 2012/11/29 [Pw_forum] dummy atom Axel Kohlmeyer
• 2012/11/29 [Pw_forum] dummy atom Lorenzo Paulatto
• 2012/11/29 [Pw_forum] dummy atom Maryam Jamali
• 2012/11/29 [Pw_forum] Frequency Dependent Dielectric Function Layla Martin-Samos
• 2012/11/29 [Pw_forum] Frequency Dependent Dielectric Function Iwan Darmadi
• 2012/11/28 [Pw_forum] [Support] Issue with cppp.x in QE CPMD Layla Martin-Samos
• 2012/11/28 [Pw_forum] Efermi in band structure calculations zahra vatankhah
• 2012/11/28 [Pw_forum] Efermi in band structure calculations C
• 2012/11/28 [Pw_forum] Putting a strain on a BCC Ben Palmer
• 2012/11/28 [Pw_forum] Putting a strain on a BCC Eduardo Ariel Menendez Proupin
• 2012/11/28 [Pw_forum] Putting a strain on a BCC Ben Palmer
• 2012/11/27 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Yue-Wen Fang
• 2012/11/27 [Pw_forum] Electron-Phonon Interaction in Insulators Samuel Smith
• 2012/11/27 [Pw_forum] PbSe Pseudopotential from PSlibrary Rui Mao
• 2012/11/27 [Pw_forum] q-grid generation in phonon calculation Aaditya Manjanath
• 2012/11/27 [Pw_forum] Putting a strain on a BCC Paolo Giannozzi
• 2012/11/27 [Pw_forum] Putting a strain on a BCC Ben Palmer
• 2012/11/27 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Ivan Girotto
• 2012/11/27 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Yue-Wen Fang
• 2012/11/27 [Pw_forum] U for Fe Emine Kucukbenli
• 2012/11/27 [Pw_forum] U for Fe Mansoureh Pashangpour
• 2012/11/27 [Pw_forum] TDDFPT module -- input read error check Paolo Giannozzi
• 2012/11/26 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Filippo Spiga
• 2012/11/26 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Chengyang Li
• 2012/11/26 [Pw_forum] Hessian matrix Paolo Giannozzi
• 2012/11/26 [Pw_forum] Bond Order criteria in plane wave basis Giovanni La Penna
• 2012/11/26 [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download Filippo Spiga
• 2012/11/26 [Pw_forum] Error: array gk out-of-bounds With ph.x Paolo Giannozzi

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