March 2021 Archives by date

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Starting: Mon Mar 1 16:24:53 CET 2021
Ending: Wed Mar 31 23:58:58 CEST 2021
Messages: 213

[QE-users] Using h_psi Andrew Xu
[QE-users] Using h_psi Paolo Giannozzi
[QE-users] Regarding GGA+U+SOC implementation in Quantum espresso code. SOUMYAKANTA PANDA
[QE-users] ibrav (QE) sally issa
[QE-users] ibrav (QE) Lorenzo Paulatto
[QE-users] Regarding GGA+U+SOC implementation in Quantum espresso code. Matteo Cococcioni
[QE-users] Regarding GGA+U+SOC implementation in Quantum espresso code. SOUMYAKANTA PANDA
[QE-users] ibrav (QE) sally issa
[QE-users] ibrav (QE) Paolo Giannozzi
[QE-users] Regarding GGA+U+SOC implementation in Quantum espresso code. Paolo Giannozzi
[QE-users] ibrav (QE) sally issa
[QE-users] Simulation of metal ions Yuvam Bhateja
[QE-users] Using h_psi Andrew Xu
[QE-users] Error in scf calculation of large number of atoms Pooja Vyas
[QE-users] Error in scf calculation of large number of atoms sally issa
[QE-users] Error in scf calculation of large number of atoms Pooja Vyas
[QE-users] error in applying magnetic properties of ferrite based materials M.Golmoammadi
[QE-users] error in applying magnetic properties of ferrite based materials 박민규
[QE-users] error in applying magnetic properties of ferrite based materials M.Golmoammadi
[QE-users] Error in scf calculation of large number of atoms 박민규
[QE-users] Error in scf calculation of large number of atoms Pooja Vyas
[QE-users] Error in scf calculation of large number of atoms Matic
[QE-users] Virtual school on "Electronic excitations in solids and nanostructures using the Yambo code" Andrea Ferretti
[QE-users] error in applying magnetic properties of ferritebased materials Pietro Delugas
[QE-users] error in applying magnetic properties of ferritebased materials Pietro Delugas
[QE-users] error in applying magnetic properties of ferritebased materials M.Golmoammadi
[QE-users] error in applying magnetic properties offerritebased materials Pietro Delugas
[QE-users] QE 6.7 with gipaw 6.6 Christoph Wolf
[QE-users] error message: Message from routine chdens: namelist plot not found or invalid Мищенко В.Н.
[QE-users] error message: Message from routine chdens: namelist plot not found or invalid Paolo Giannozzi
[QE-users] Convergence problem of Mg solvated ions in SCCS model Li, Bingxin
[QE-users] QE 6.7 with gipaw 6.6 Davide Ceresoli
[QE-users] QE 6.7 with gipaw 6.6 Paolo Giannozzi
[QE-users] Virtual school on "Electronic excitations in solids and nanostructures using the Yambo code" Andrea Ferretti
[QE-users] Discrepancy between QE and VASP when including Efield in slab system Carlos Polanco Garcia
[QE-users] Discrepancy between QE and VASP when including Efield in slab system Michal Krompiec
[QE-users] Prefix.save sally issa
[QE-users] Discrepancy between QE and VASP when including Efield in slab system Kazume NISHIDATE
[QE-users] Prefix.save Pietro Delugas
[QE-users] QE 6.7 with gipaw 6.6 Christoph Wolf
[QE-users] GPU Q-E: compilation Sergey Lisenkov
[QE-users] Discrepancy between QE and VASP when including Efield in slab system Carlos Polanco Garcia
[QE-users] Discrepancy between QE and VASP when including Efield in slab system (Carlos Polanco) Carlos Polanco Garcia
[QE-users] GPU Q-E: compilation Pietro Bonfa'
[QE-users] GPU Q-E: compilation Sergey Lisenkov
[QE-users] Discrepancy between QE and VASP when including Efield in slab system (Carlos Polanco) Kazume NISHIDATE
[QE-users] Hubbard U correction for Sn atom error Уранбайгал Энхтөр
[QE-users] Vanderbilt and Resta online lectures - CECAM-MARVEL "Classics in molecular and materials modelling" Nicola Marzari
[QE-users] [QE-users ]Opposite HOMO-LUMO energies but no "System is metallic, smearing is needed" Konrad Gruszka
[QE-users] Hubbard U correction for Sn atom error Iurii TIMROV
[QE-users] Non-smooth tail in potential energy curve for non-metals Kevin Kayang
[QE-users] [QE-users ]Opposite HOMO-LUMO energies but no "System is metallic, smearing is needed" Paolo Giannozzi
[QE-users] [QE-users ]Opposite HOMO-LUMO energies but no "System is metallic, smearing is needed" Konrad Gruszka
[QE-users] Non-smooth tail in potential energy curve for non-metals Paolo Giannozzi
[QE-users] Installing QE 670 on AMD EPYC Chandan Kumar Choudhury
[QE-users] Installing QE 670 on AMD EPYC Paolo Giannozzi
[QE-users] error in phonon calculation Amadeus
[QE-users] Installing QE 670 on AMD EPYC Chandan Kumar Choudhury
[QE-users] Installing QE 670 on AMD EPYC Paolo Giannozzi
[QE-users] Installing QE 670 on AMD EPYC Chandan Kumar Choudhury
[QE-users] Installing QE 670 on AMD EPYC Paolo Giannozzi
[QE-users] Installing QE 670 on AMD EPYC Chandan Kumar Choudhury
[QE-users] Installing QE 670 on AMD EPYC Paolo Giannozzi
[QE-users] Installing QE 670 on AMD EPYC Pietro Delugas
[QE-users] Installing QE 670 on AMD EPYC Chandan Kumar Choudhury
[QE-users] Installing QE 670 on AMD EPYC Tobias Klöffel
[QE-users] Installing QE 670 on AMD EPYC Ye Luo
[QE-users] [QE-GPU] configure error Zeeshan Ahmad
[QE-users] [QE-GPU] configure error Fabrizio Ferrari
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Reem Abdel-Kader Ibrahim
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Kazume NISHIDATE
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Reem Abdel-Kader Ibrahim
[QE-users] Installing QE 670 on AMD EPYC Chandan Kumar Choudhury
[QE-users] turbo Davidson/Lanczos program for a charge system Ʈ
[QE-users] SCF convergence of cp.x vs. pw.x Christoph Wolf
[QE-users] turbo Davidson/Lanczos program for a charge system Iurii TIMROV
[QE-users] SCF convergence of cp.x vs. pw.x Giuseppe Mattioli
[QE-users] SCF convergence of cp.x vs. pw.x Paolo Giannozzi
[QE-users] SCF convergence of cp.x vs. pw.x Paolo Giannozzi
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Kazume NISHIDATE
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Paolo Giannozzi
[QE-users] Am with DFT+U+SOC Malte Sachs
[QE-users] starting_spin_angle Malte Sachs
[QE-users] Am with DFT+U+SOC Matteo Cococcioni
[QE-users] 回复： turbo Davidson/Lanczos program for a charge system ??
[QE-users] Am with DFT+U+SOC Malte Sachs
[QE-users] Am with DFT+U+SOC Matteo Cococcioni
[QE-users] SCF convergence not achieved after 100 steps Pausali Nandi
[QE-users] Installing QE 670 on AMD EPYC Tobias Klöffel
[QE-users] SCF convergence not achieved after 100 steps Pausali Nandi
[QE-users] SCF convergence not achieved after 100 steps Soumyadeep
[QE-users] SCF convergence not achieved after 100 steps Pausali Nandi
[QE-users] How to properly restart CI-NEB? convergence issues Oskar Cheong
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Reem Abdel-Kader Ibrahim
[QE-users] nscf crashing Elio Physics
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Kazume NISHIDATE
[QE-users] convergence NOT achieved after 100 iterations for spin-orbit coupling Kazume NISHIDATE
[QE-users] Error while running QE Chandan Kumar Choudhury
[QE-users] Error while running QE Pietro Bonfa'
[QE-users] users Digest, Vol 164, Issue 13 YUHIT GUPTA
[QE-users] nscf crashing Paolo Giannozzi
[QE-users] How to properly restart CI-NEB? convergence issues Paolo Giannozzi
[QE-users] How to properly restart CI-NEB? convergence issues Paolo Giannozzi
[QE-users] nscf crashing Aritz Leonardo
[QE-users] How to properly restart CI-NEB? convergence issues Oskar Cheong
[QE-users] (no subject) Lenz Fiedler
[QE-users] pp.x calculation very slow Lenz Fiedler
[QE-users] SCF convergence not achieved after 100 steps Pausali Nandi
[QE-users] SCF convergence not achieved after 100 steps Yun Wang
[QE-users] SCF convergence not achieved after 100 steps Pausali Nandi
[QE-users] Error while running QE Chandan Kumar Choudhury
[QE-users] Problems restarting cp.x from pw.x run Christoph Wolf
[QE-users] nscf crashing Elio Physics
[QE-users] nscf crashing Paolo Giannozzi
[QE-users] pp.x calculation very slow Paolo Giannozzi
[QE-users] Problem with ph.x Carlos Reis
[QE-users] [neb.x] How to lessen I/O? Takahiro Chiba
[QE-users] [neb.x] How to lessen I/O? Takahiro Chiba
[QE-users] pp.x calculation very slow Lenz Fiedler
[QE-users] Structure with symmetry Offermans Willem
[QE-users] Structure with symmetry Giovanni Cantele
[QE-users] Structure with symmetry Offermans Willem
[QE-users] Structure with symmetry Giovanni Cantele
[QE-users] Structure with symmetry Lorenzo Paulatto
[QE-users] QE-GPU and KGEC Dario Baratella
[QE-users] [neb.x] How to lessen I/O? Paolo Giannozzi
[QE-users] QE-GPU and KGEC Pietro Bonfa'
[QE-users] QE-GPU and KGEC Pietro Delugas
[QE-users] QE-GPU and KGEC Pietro Delugas
[QE-users] [neb.x] How to lessen I/O? Paolo Giannozzi
[QE-users] Cloud Computing Rutika Savaliya
[QE-users] Cloud Computing "김승철"
[QE-users] Change of MTJ structure after relaxation Muhammad Zafar
[QE-users] Problem with dos output Savy B
[QE-users] QE-GPU and KGEC Paolo Giannozzi
[QE-users] QE-GPU and KGEC Stefano Baroni
[QE-users] error while run epw Amadeus
[QE-users] Structure with symmetry Offermans Willem
[QE-users] Structure with symmetry Paolo Giannozzi
[QE-users] Structure with symmetry Lorenzo Paulatto
[QE-users] [EXTERNAL] Cloud Computing Dominik Gresch (Experis AG)
[QE-users] Structure with symmetry Offermans Willem
[QE-users] Structure with symmetry Lorenzo Paulatto
[QE-users] Structure with symmetry Offermans Willem
[QE-users] RE error while run GWW/head.x Amadeus
[QE-users] qq.com Paolo Giannozzi
[QE-users] Paramagnetism in Fe Nitol, Mash
[QE-users] Paramagnetism in Fe Kazume NISHIDATE
[QE-users] (no subject) Mayank Dotiyal
[QE-users] (no subject) Giuseppe Mattioli
[QE-users] Problem with dos output Paolo Giannozzi
[QE-users] electron relaxation using cp.x Mohammad Moaddeli
[QE-users] electron relaxation using cp.x Paolo Giannozzi
[QE-users] pp.x calculation very slow Paolo Giannozzi
[QE-users] Muti-GPU Error on v.6.7MaX Jatin Kashyap
[QE-users] Problem with ph.x Paolo Giannozzi
[QE-users] [neb.x] How to lessen I/O? Takahiro Chiba
[QE-users] Muti-GPU Error on v.6.7MaX Pietro Bonfa'
[QE-users] [neb.x] How to lessen I/O? Paolo Giannozzi
[QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure Truman Ng Yu
[QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure Lorenzo Paulatto
[QE-users] Problem with ph.x Paolo Giannozzi
[QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure Truman Ng Yu
[QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure Lorenzo Paulatto
[QE-users] Problem with ph.x Carlos Reis
[QE-users] Simulated STM HUSSAM BOUAAMLAT
[QE-users] Simulated STM Giuseppe Mattioli
[QE-users] Problem with ph.x Offermans Willem
[QE-users] Symmetry detection by pw.x Offermans Willem
[QE-users] Problem with ph.x Carlos Reis
[QE-users] [QE-developers] Free electron wavefunctions Qinxue Cao
[QE-users] pp.x calculation very slow Lenz Fiedler
[QE-users] K-point in neb.x LEUNG Clarence
[QE-users] 0.0000 in QHA outputs Dr. K. C. Bhamu
[QE-users] Problem with ph.x Offermans Willem
[QE-users] K-point in neb.x Antoine Jay
[QE-users] [neb.x] How to lessen I/O? Takahiro Chiba
[QE-users] 0.0000 in QHA outputs Lorenzo Paulatto
[QE-users] 0.0000 in QHA outputs Dr. K. C. Bhamu
[QE-users] 0.0000 in QHA outputs Lorenzo Paulatto
[QE-users] Problem with ph.x Carlos Reis
[QE-users] Quantum Espresso Compilation error Offermans Willem
[QE-users] Quantum Espresso Compilation error Paolo Giannozzi
[QE-users] pp.x calculation very slow Paolo Giannozzi
[QE-users] pp.x calculation very slow Lenz Fiedler
[QE-users] Symmetry detection by pw.x Paolo Giannozzi
[QE-users] shell script for vib. entropy calculation for molecules Dr. K. C. Bhamu
[QE-users] High Dielectric Matrix Phonon Calculation Riccardo Reho
[QE-users] Ionic + hartree potential Offermans Willem
[QE-users] Ionic + hartree potential Paolo Giannozzi
[QE-users] large negative rho with GBRV pseudopotentials Ronald Cohen
[QE-users] Fermi Surface Plot Resolution Truman Ng Yu
[QE-users] ph.x Raman calculations Jessica Johnson
[QE-users] Convergence issue Mayuri Bora
[QE-users] Convergence issue Jibiao Li
[QE-users] ph.x Raman calculations Paolo Giannozzi
[QE-users] I have failed to reproduce phonon dispersion of graphene Evgenii
[QE-users] I have failed to reproduce phonon dispersion of graphene Vahid Askarpour
[QE-users] I have failed to reproduce phonon dispersion of graphene Paolo Giannozzi
[QE-users] I have failed to reproduce phonon dispersion of graphene Evgenii
[QE-users] I have failed to reproduce phonon dispersion of graphene Lorenzo Paulatto
[QE-users] I have failed to reproduce phonon dispersion of graphene Vahid Askarpour
[QE-users] ph.x Raman calculations Kazume NISHIDATE
[QE-users] ph.x Raman calculations Lorenzo Paulatto
[QE-users] I have failed to reproduce phonon dispersion of graphene Lorenzo Paulatto
[QE-users] ph.x Raman calculations Kazume NISHIDATE
[QE-users] ph.x Raman calculations Terry Frankcombe
[QE-users] Error occures when run turbo_davidson.x 飘
[QE-users] Error occures when run turbo_davidson.x Iurii TIMROV
[QE-users] ph.x Raman calculations Lorenzo Paulatto
[QE-users] Binding energy calculation o.kazemi at web.de
[QE-users] U calculation for Cd based material Sergey Lisenkov
[QE-users] U calculation for Cd based material Matteo Cococcioni

Last message date: Wed Mar 31 23:58:58 CEST 2021
Archived on: Wed Mar 31 23:59:18 CEST 2021

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