January 2019 Archives by subject

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Starting: Tue Jan 1 10:49:16 CET 2019
Ending: Thu Jan 31 22:30:16 CET 2019
Messages: 167

[QE-users] [SUSPECTED SPAM-Ironport] Geometry of Transition state Giuseppe Mattioli
[QE-users] [SUSPECTED SPAM-Ironport] Geometry of Transition state PARISA ALAMDARI
[QE-users] about 'lforcet' flag Guido Menichetti
[QE-users] about 'lforcet' flag Stefano de Gironcoli
[QE-users] about 'lforcet' flag Guido Menichetti
[QE-users] about 'lforcet' flag Guido Menichetti
[QE-users] ACFDT Colonna Nicola
[QE-users] an error using cppp.x Lu Hailin
[QE-users] Atomic distances are doubled after dynmat.x calculation Laurens Siemons
[QE-users] Atomic distances are doubled after dynmat.x calculation Paolo Giannozzi
[QE-users] Atomic distances are doubled after dynmat.x calculation Laurens Siemons
[QE-users] cannot find data-file-xml in cppp.x Lu Hailin
[QE-users] cannot find data-file-xml in cppp.x Giuseppe Mattioli
[QE-users] cannot find data-file-xml in cppp.x Paolo Giannozzi
[QE-users] cannot find data-file-xml in cppp.x Lu Hailin
[QE-users] cannot find data-file-xml in cppp.x Lu Hailin
[QE-users] Can QE calculate the exchange energy and correlation energy separately? Paolo Giannozzi
[QE-users] Checkpoint/Restart Options Anton Lopis
[QE-users] Constraint optimization - change in constraint distance PARISA ALAMDARI
[QE-users] Constraint optimization - change in constraint distance Paolo Giannozzi
[QE-users] CPMD Electron Relaxation takes too long. Oier Arcelus
[QE-users] CPMD Electron Relaxation takes too long. Riccardo Bertossa
[QE-users] CPMD Electron Relaxation takes too long. Giuliana Materzanini
[QE-users] CPMD Electron Relaxation takes too long. Oier Arcelus
[QE-users] differently complied QE Aleksandra Oranskaia
[QE-users] differently complied QE Lorenzo Paulatto
[QE-users] differently complied QE Nicola Marzari
[QE-users] differently complied QE Nicola Marzari
[QE-users] differently complied QE Aleksandra Oranskaia
[QE-users] differently complied QE Aleksandra Oranskaia
[QE-users] differently complied QE Stefano Baroni
[QE-users] differently complied QE Robert Molt
[QE-users] differently complied QE Stefano Baroni
[QE-users] differently complied QE Aleksandra Oranskaia
[QE-users] dipole moment of isolated water molecule Sabike Ghasemi
[QE-users] Environ module and perodic boundary condition Mohamed Safy
[QE-users] Environ module and perodic boundary condition Giuseppe Mattioli
[QE-users] Environ module and perodic boundary condition Mohamed Safy
[QE-users] error Sabike Ghasemi
[QE-users] error Paolo Giannozzi
[QE-users] error Sabike Ghasemi
[QE-users] error Ari P Seitsonen
[QE-users] error Sabike Ghasemi
[QE-users] Error during compilation Redwan Sajjad
[QE-users] Error during compilation Redwan Sajjad
[QE-users] Error during compilation Paolo Giannozzi
[QE-users] Error during compilation Redwan Sajjad
[QE-users] Error during compilation Paolo Giannozzi
[QE-users] Error during compilation Pietro Davide Delugas
[QE-users] Error during compilation Redwan Sajjad
[QE-users] Error during compilation Pietro Davide Delugas
[QE-users] Error during compilation Redwan Sajjad
[QE-users] Error during compilation Redwan Sajjad
[QE-users] error in cp.x LEUNG Clarence
[QE-users] error in cp.x Giuseppe Mattioli
[QE-users] error in cp.x Paolo Giannozzi
[QE-users] force constant calculations shaymlal dayananda
[QE-users] Frequency dependent lambda (electron-phonon coupling) Enamul Haque
[QE-users] Frequency dependent lambda (electron-phonon coupling)(Re-post) Enamul Haque
[QE-users] Fwd: dipole moment of isolated water molecule Sabike Ghasemi
[QE-users] Geometry of Transition state PARISA ALAMDARI
[QE-users] Geometry of Transition state Guido Menichetti
[QE-users] gfortran vs intel lead to different results of electron-phonon coupling by ph.x Arena Konta
[QE-users] High symmetry point overlap problem. Vasilios Passias
[QE-users] High symmetry point overlap problem. Lorenzo Paulatto
[QE-users] How to apply force to the atoms using cp.x Lu Hailin
[QE-users] How to apply force to the atoms using cp.x Giuseppe Mattioli
[QE-users] How to apply force to the atoms using cp.x Lu Hailin
[QE-users] How to enable M05-2x in QE ? ??
[QE-users] How to enable M05-2x in QE Paolo Giannozzi
[QE-users] HSE Bandstructure with bigger q-Grid possible Windgaetter, Lukas
[QE-users] HSE Bandstructure with bigger q-Grid possible ? Windgaetter, Lukas
[QE-users] HSE Bandstructure with bigger q-Grid possible ? Giuseppe Mattioli
[QE-users] Hydrogen PP valadez at ift.uni-hannover.de
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Guido Menichetti
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Andrea Ferretti
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Guido Menichetti
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Giuseppe Mattioli
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Guido Menichetti
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Christoph Wolf
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Guido Menichetti
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Giuseppe Mattioli
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Paolo Giannozzi
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Giuseppe Mattioli
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Paolo Giannozzi
[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.) Christoph Wolf
[QE-users] large negative rho K. Doblhoff-Dier
[QE-users] large negative rho Nicola Marzari
[QE-users] list of q-points in the output of matdyn.x Fabrizio Cossu
[QE-users] list of q-points in the output of matdyn.x Lorenzo Paulatto
[QE-users] list of q-points in the output of matdyn.x Fabrizio Cossu
[QE-users] Magneto-crystalline Anisotropy Muhydeen Olakunle Adelani
[QE-users] Magneto-crystalline Anisotropy Cococcioni Matteo
[QE-users] Magneto-crystalline Anisotropy Muhydeen Olakunle Adelani
[QE-users] MPI error in pw.x Alex.Durie
[QE-users] MPI error in pw.x Paolo Giannozzi
[QE-users] Negative Frequency in Phonon calculation LEUNG Clarence
[QE-users] NSCF calculations in parallel Dr. Muhammad Jawwad Saif
[QE-users] orbital resolved contribution in band diagram Sohail Ahmad
[QE-users] positions at EPFL Nicola Marzari
[QE-users] positions available at CNR-NANO within the MaX CoE Andrea Ferretti
[QE-users] problems of calculation of vibration frequency using ph.x 兵临城下
[QE-users] problem with cppp version qe62 Merlin Meheut
[QE-users] problem with cppp version qe62 Paolo Giannozzi
[QE-users] QE_2_BoltzTrap Ubaid Mohd
[QE-users] QE_2_BoltzTrap Dr. Thomas Brumme
[QE-users] QE_2_BoltzTrap Thomas Brumme
[QE-users] QE_2_BoltzTrap Ubaid Mohd
[QE-users] Question on CPMD LEUNG Clarence
[QE-users] Question on CPMD Riccardo Bertossa
[QE-users] Ris: Re: CPMD Electron Relaxation takes too long. rbertoss at sissa.it
[QE-users] Running PHonon w/ images James Johns
[QE-users] Running PHonon w/ images Paolo Giannozzi
[QE-users] Running PHonon w/ images James Johns
[QE-users] Running PHonon w/ images James Johns
[QE-users] Scalar Relativistic v.s. fully relativistic pseudopotential LEUNG Clarence
[QE-users] Scalar Relativistic v.s. fully relativistic pseudopotential Paolo Giannozzi
[QE-users] SCF not converging in QE6.3 (but it does so in, QE6.0) Guido Fratesi
[QE-users] SCF not converging in QE6.3 (but it does so in, QE6.0) Pietro Delugas
[QE-users] SCF not converging in QE6.3 (but it does so in QE6.0) Guido Fratesi
[QE-users] SCF not converging in QE6.3 (but it does so in QE6.0) Paolo Giannozzi
[QE-users] SCF not converging in QE6.3 (but it does so in QE6.0) Pietro Delugas
[QE-users] SCF not converging in QE6.3 (but it does so in QE6.0) Davide Ceresoli
[QE-users] second order force constant shaymlal dayananda
[QE-users] Spin Orbit Coupling with PAW PseudoPotentials (Full Relativistic PBESOL from pslib) and gaupbe xc Abdul Shaik
[QE-users] Spin Orbit Coupling with PAW PseudoPotentials (Full Relativistic PBESOL from pslib) and gaupbe xc Thomas Brumme
[QE-users] Spin vector calculation in QE Mashroor Nitol
[QE-users] Symmetry Considerations Offermans Willem
[QE-users] Symmetry Considerations Michael Mehl
[QE-users] Symmetry Considerations Paolo Giannozzi
[QE-users] Symmetry Considerations Paolo Giannozzi
[QE-users] Symmetry Considerations Offermans Willem
[QE-users] Symmetry Considerations Malte Sachs
[QE-users] Symmetry Considerations Offermans Willem
[QE-users] Symmetry Considerations Paolo Giannozzi
[QE-users] The grid for wave functions in real space; Taghipour, Zahra
[QE-users] The grid for wave functions in real space; Paolo Giannozzi
[QE-users] the output of plot_num=21 with PP.x is empty, when increase the FFT with scf calculation involving in SCO 杨海龙
[QE-users] The Total energy gradually increase in CPMD LEUNG Clarence
[QE-users] Tran-Blaha modified Becke-Johnson potential (TB-mBJ) Anibal Bezerra
[QE-users] Tran-Blaha modified Becke-Johnson potential (TB-mBJ) José Carlos Conesa
[QE-users] Tutorial on writing reproducible workflows for computational materials science using AiiDA Leopold Talirz
[QE-users] unknown error in ph.x of QE630 LEUNG Clarence
[QE-users] vc-relax not converging Sohail Ahmad
[QE-users] vdw_corr Sabike Ghasemi
[QE-users] vdw_corr Ari P Seitsonen
[QE-users] vdw_corr Sabike Ghasemi
[QE-users] vdw_corr Ari P Seitsonen
[QE-users] Wrong number of k-points? Laurens Siemons
[QE-users] Wrong number of k-points? Giovanni Cantele
[QE-users] Wrong number of k-points? Laurens Siemons
[QE-users] Wrong prediction for Pd-Pd bond length Paolo Costa
[QE-users] Wrong prediction for Pd-Pd bond length Giuseppe Mattioli
[QE-users] Wrong prediction for Pd-Pd bond length Paolo Costa
[QE-users] Wrong prediction for Pd-Pd bond length Lorenzo Paulatto
[QE-users] Wrong prediction for Pd-Pd bond length pboulet
[QE-users] Wrong prediction for Pd-Pd bond length Paolo Costa
[QE-users] Wrong prediction for Pd-Pd bond length pboulet
[QE-users] Wrong prediction for Pd-Pd bond length BARRETEAU Cyrille
[QE-users] 回复： cannot find data-file-xml in cppp.x Lu Hailin
[QE-users] 回复： problems of calculation of vibration frequency using ph.x 兵临城下
[QE-users] 回复： problem with cppp version qe62 Lu Hailin
[QE-users] 答复: error in cp.x LEUNG Clarence
[QE-users] 答复: error in cp.x Paolo Giannozzi
[QE-users] 答复: error in cp.x Giuseppe Mattioli
[QE-users] 答复: Question on CPMD LEUNG Clarence
[QE-users] 答复: Question on CPMD Materzanini Giuliana

Last message date: Thu Jan 31 22:30:16 CET 2019
Archived on: Thu Jan 31 22:30:10 CET 2019

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