March 2022 Archives by author

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Starting: Tue Mar 1 00:38:29 CET 2022
Ending: Thu Mar 31 22:47:10 CEST 2022
Messages: 109

[QE-users] R: Absorption spectrum using TDDFPT (turbo_lanczos.x) Oscar Baseggio
[QE-users] Query regarding restarting the relax calculation with updated parameters Dr. K. C. Bhamu
[QE-users] How to compute spin projections? Thomas Brumme
[QE-users] convergence testing very high dual parameter ecutrho for ultrasoft pseudopotential Giovanni Cantele
[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected) Giovanni Cantele
[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected) Giovanni Cantele
[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected) Giovanni Cantele
[QE-users] Test Crashes: UPF not readable Takahiro Chiba
[QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading Andrey Chibisov
[QE-users] Absorption spectrum using TDDFPT (turbo_lanczos.x) Vivek Christhunathan
[QE-users] Absorption spectrum using TDDFPT (turbo_lanczos.x) Vivek Christhunathan
[QE-users] Slow convergence BARRETEAU Cyrille
[QE-users] R: qe-gpu 7.0 - compilation issue (MKL not detected) Pietro Davide Delugas
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] symmetry traces in sym_band.f90 Gerson J. Ferreira
[QE-users] IR calculation for oriented single crystal Zack Gainsforth
[QE-users] INTERSECT project and IM2D events Francesca Garofalo
[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected) Paolo Giannozzi
[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected) Paolo Giannozzi
[QE-users] Different ELF values with QE 7.0 Paolo Giannozzi
[QE-users] [SPAM] A problem about cell_dofree='ibrav' Paolo Giannozzi
[QE-users] Test Crashes: UPF not readable Paolo Giannozzi
[QE-users] Different ELF values with QE 7.0 Paolo Giannozzi
[QE-users] Different ELF values with QE 7.0 Paolo Giannozzi
[QE-users] Error in ph.x Paolo Giannozzi
[QE-users] Slow convergence Paolo Giannozzi
[QE-users] Slow convergence Paolo Giannozzi
[QE-users] Test Crashes: UPF not readable Guerlek, Burak
[QE-users] Defining C diamond structure cp.x Michal Husak
[QE-users] IR calculation for oriented single crystal John Kendrick
[QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading Manish Kumar
[QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading Manish Kumar
[QE-users] Different ELF values with QE 7.0 Roman Lucrezi
[QE-users] Different ELF values with QE 7.0 Roman Lucrezi
[QE-users] Different ELF values with QE 7.0 Roman Lucrezi
[QE-users] Different ELF values with QE 7.0 Roman Lucrezi
[QE-users] Different ELF values with QE 7.0 Roman Lucrezi
[QE-users] R: qe-gpu 7.0 - compilation issue (MKL not detected) Ye Luo
[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected) Ye Luo
[QE-users] Error in ph.x alexander de la Luz
[QE-users] banduppy for band unfolding Nicola Marzari
[QE-users] Pseudopotentials for all-electron DFT calculations Nicola Marzari
[QE-users] Slow convergence Nicola Marzari
[QE-users] [QE-Users]Bader charge analysis using USPP Giuseppe Mattioli
[QE-users] Absorption spectrum using TDDFPT (turbo_lanczos.x) Giuseppe Mattioli
[QE-users] Pseudopotentials for all-electron DFT calculations John McFarland
[QE-users] Can anybody explain, how does QE work with space group symmetry ? Husak Michal
[QE-users] GPU SAID OUKAHOU
[QE-users] Defining C diamond structure cp.x Marcelo Falcão de Oliveira
[QE-users] banduppy for band unfolding Marcelo Falcão de Oliveira
[QE-users] banduppy for band unfolding Lorenzo Paulatto
[QE-users] on VCA for use in d3q calculation Lorenzo Paulatto
[QE-users] on VCA for use in d3q calculation Lorenzo Paulatto
[QE-users] IR calculation for oriented single crystal Lorenzo Paulatto
[QE-users] How to compute spin projections? Lorenzo Paulatto
[QE-users] Discrepancy in thermal electronic free energy using THERMO_PW Elio Physics
[QE-users] Total magnetization different to absolute magnetization FM Antonio Pancho Ramirez
[QE-users] Defining C diamond structure cp.x Juniper Savchick
[QE-users] How to compute spin projections? Luiz Gustavo Davanse da Silveira
[QE-users] How to compute spin projections? Luiz Gustavo Davanse da Silveira
[QE-users] How to compute spin projections? Luiz Gustavo Davanse da Silveira
[QE-users] How to compute spin projections? Luiz Gustavo Davanse da Silveira
[QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading Filippo Spiga
[QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading Filippo Spiga
[QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading Filippo Spiga
[QE-users] Critical temperature calculations in Quantum Espresso 7.0 Piotr Szkudlarek
[QE-users] [QE-Users]Bader charge analysis using USPP Anson Thomas
[QE-users] convergence testing very high dual parameter ecutrho for ultrasoft pseudopotential Johannes Meusburger - STFC UKRI
[QE-users] convergence testing very high dual parameter ecutrho for ultrasoft pseudopotential Johannes Meusburger - STFC UKRI
[QE-users] HSE06 band structure calculation DHILSHADA V.N.
[QE-users] Compute elastic constants at given volume Pooja Vyas
[QE-users] [SPAM] A problem about cell_dofree='ibrav' Tianhua Wang
[QE-users] "Eigenvectors exchange needed " in the ph.x calculation Gang Yang
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] symmetry traces in sym_band.f90 Hongyi Zhao
[QE-users] How to compute spin projections? Hongyi Zhao
[QE-users] How to compute spin projections? Hongyi Zhao
[QE-users] How to compute spin projections? Hongyi Zhao
[QE-users] How to compute spin projections? Hongyi Zhao
[QE-users] How to compute spin projections? Hongyi Zhao
[QE-users] [hp.x] Error in routine diropn (99) a.pramos
[QE-users] Some chi were not found error a.pramos
[QE-users] Complex band structure output files ahmed benyahia
[QE-users] TR: Erreur from pw2wannier milouda bessimou
[QE-users] S matrix not positive definite jgsi at foxmail.com
[QE-users] banduppy for band unfolding kenneth senados
[QE-users] on VCA for use in d3q calculation kenneth senados
[QE-users] on VCA for use in d3q calculation kenneth senados
[QE-users] Slow convergence Максим Арсентьев
[QE-users] Slow convergence Максим Арсентьев
[QE-users] Slow convergence Максим Арсентьев
[QE-users] The difference of two wavefunctions from two methods 徐思源

Last message date: Thu Mar 31 22:47:10 CEST 2022
Archived on: Thu Mar 31 22:33:45 CEST 2022

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