August 2022 Archives by subject

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Starting: Mon Aug 1 15:19:13 CEST 2022
Ending: Wed Aug 31 11:21:11 CEST 2022
Messages: 111

[QE-users] [External Email] EPW (MPI) failure in QE 7.1 Hari Paudyal
[QE-users] [External Email] error in phonon calculation Hari Paudyal
[QE-users] [SPAM] CONVERSION OF CELL_PARAMETERS (Angstrom) to alat(Bohr) or celldm & cell2ibrav.x SK
[QE-users] [SPAM] CONVERSION OF CELL_PARAMETERS (Angstrom) to alat(Bohr) or celldm & cell2ibrav.x lorenzo.paulatto at cnrs.fr
[QE-users] [SPAM] CONVERSION OF CELL_PARAMETERS (Angstrom) to alat(Bohr) or celldm & cell2ibrav.x KENNETH SANDINAH
[QE-users] [SPAM] Sharp peaks at the band structure calculated with hybrid functional using the "fake" procedure Lorenzo Paulatto
[QE-users] [Webinar] First principles molecular dynamics simulations and NMR investigations of proton and hydroxide transport in nanoconfined proton- and anion-exchange membrane environments Dr.Mosab Banisalman
[QE-users] About superconducting Tc from the output of matdyn.x alpin novianus
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Jibiao Li
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Lorenzo Paulatto
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Jibiao Li
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Lorenzo Paulatto
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Jibiao Li
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Stefano Baroni
[QE-users] Can QE project selected electronic states of selected atoms into the k-space? Lorenzo Paulatto
[QE-users] CP example 08 KRISHNENDU MUKHERJEE
[QE-users] CP example 08 KRISHNENDU MUKHERJEE
[QE-users] CP example 08 KRISHNENDU MUKHERJEE
[QE-users] CP example 08 KRISHNENDU MUKHERJEE
[QE-users] Decomposing energy components of individual orbitals Phillip Thomas
[QE-users] Decomposing energy components of individual orbitals Paolo Giannozzi
[QE-users] Dielectric function calculation without phonons Driesse, Mathias
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Mahmoud Payami Shabestari
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Iurii TIMROV
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Mahmoud Payami Shabestari
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Mahmoud Payami Shabestari
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Iurii TIMROV
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Mahmoud Payami Shabestari
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Stefano Baroni
[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7 Mahmoud Payami Shabestari
[QE-users] Electron-Phonon coupling with PAW PP Roman Lucrezi
[QE-users] Electron-Phonon coupling with PAW PP Paolo Giannozzi
[QE-users] Electron-Phonon GRID calculations Lewis Conway
[QE-users] EPW (MPI) failure in QE 7.1 Collins Nganou
[QE-users] error in phonon calculation Soumendra Kumar Das
[QE-users] Error S matrix not positive definite DHILSHADA V.N.
[QE-users] ESM-RISM-FCP with QE-7.1 Yun Yang
[QE-users] ESM-RISM-FCP with QE-7.1 Otani Minoru
[QE-users] ESM-RISM-FCP with QE-7.1 Yun Yang
[QE-users] getting empty .dyn file for phonon calculation of metal Sushree Sarita Sahoo
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Jayraj Anadani
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Stefano de Gironcoli
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Jayraj Anadani
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Stefano de Gironcoli
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Jayraj Anadani
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Stefano de Gironcoli
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Jayraj Anadani
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Jayraj Anadani
[QE-users] How H2O molecule reflect DFT scf calculation at 0 Kelvin calculation Stefano de Gironcoli
[QE-users] How to add U 杨庆
[QE-users] Lowdin charge analysis on a gold nanocluster Nia Pollard
[QE-users] Lowdin charge analysis on a gold nanocluster Guido Fratesi
[QE-users] MaX Happy Hour @ Psi-k Conference 2022 Invitation - 23.08.2022 Pietro Davide Delugas
[QE-users] Molecular dynamics calculation crashing Elio Physics
[QE-users] Molecular dynamics calculation crashing Nicola Marzari
[QE-users] Molecular dynamics calculation crashing Elio Physics
[QE-users] MPI in qe-6.5 Ilias Miroslav, doc. RNDr., PhD.
[QE-users] Non-collinear magnetism+spin-orbit coupling scf convergence Zeeshan Ahmad
[QE-users] problem with projwfc.x in QE v7.0 package Shenli Zhang
[QE-users] problem with VC-RELAX Aritri Roy
[QE-users] Projecting electronic states in the momentum space Jibiao Li
[QE-users] pw2wannier90.x Example05 error Eesha Sanjay Andharia
[QE-users] QE-7.1 does not support NCPP Mahmoud Payami Shabestari
[QE-users] QE-7.1 does not support NCPP Iurii TIMROV
[QE-users] QE-7.1 does not support NCPP Mahmoud Payami Shabestari
[QE-users] QE-7.1 does not support NCPP Iurii TIMROV
[QE-users] QE-7.1 does not support NCPP Mahmoud Payami Shabestari
[QE-users] QE-7.1 does not support NCPP Mahmoud Payami Shabestari
[QE-users] QE-7.1 does not support NCPP Iurii TIMROV
[QE-users] QE-7.1 does not support NCPP Mahmoud Payami Shabestari
[QE-users] QE-7.1 does not support NCPP Mahmoud Payami Shabestari
[QE-users] Quantum Software Engineering reasearch Stefano Taborelli
[QE-users] R: CP example 08 Pietro Davide Delugas
[QE-users] R: Molecular dynamics calculation crashing Pietro Davide Delugas
[QE-users] R: Translated orbitals in periodic calculation Pietro Davide Delugas
[QE-users] R: Translated orbitals in periodic calculation Phillip Thomas
[QE-users] Raman spectra for semimetals! Sumit Kukreti (P19PH015)
[QE-users] Raman spectra for semimetals! Sumit Kukreti (P19PH015)
[QE-users] scf calculation of an amorphorse structure from md simulation coordinates jayraj anadani
[QE-users] scf calculation of an amorphorse structure from md simulation coordinates jayraj anadani
[QE-users] scf calculation of an amorphorse structure from md simulation coordinates Jayraj Anadani
[QE-users] scf calculation of an amorphorse structure from md simulation coordinates Jayraj Anadani
[QE-users] sternheimer_kernel: root not converged in phonon calculations pboulet
[QE-users] sternheimer_kernel: root not converged in phonon calculations Lorenzo Paulatto
[QE-users] sternheimer_kernel: root not converged in phonon calculations pboulet
[QE-users] sternheimer_kernel: root not converged in phonon calculations Lorenzo Paulatto
[QE-users] sternheimer_kernel: root not converged in phonon calculations pboulet
[QE-users] Switching to a larger unit cell of the "same" system Léon Luntadila Lufungula
[QE-users] syntax of using starting_ns_eigenvalue for two different localized orbitals of the same atom Mahmoud Payami Shabestari
[QE-users] syntax of using starting_ns_eigenvalue for two different localized orbitals of the same atom Stefano de Gironcoli
[QE-users] syntax of using starting_ns_eigenvalue for two different localized orbitals of the same atom Mahmoud Payami Shabestari
[QE-users] syntax of using starting_ns_eigenvalue for two different localized orbitals of the same atom Mahmoud Payami Shabestari
[QE-users] syntax of using starting_ns_eigenvalue for two different localized orbitals of the same atom Iurii TIMROV
[QE-users] syntax of using starting_ns_eigenvalue for two different localized orbitals of the same atom Mahmoud Payami Shabestari
[QE-users] the definition of valence electrons of Zn in PAW pseudopotential jy95vowa
[QE-users] the definition of valence electrons of Zn in PAW pseudopotential Paolo Giannozzi
[QE-users] To Prof. Stefano Baroni Mahmoud Payami Shabestari
[QE-users] To Prof. Stefano Baroni Stefano Baroni
[QE-users] Translated orbitals in periodic calculation Phillip Thomas
[QE-users] Translated orbitals in periodic calculation Stefano Baroni
[QE-users] treating one atom with two localized orbitals Mahmoud Payami Shabestari
[QE-users] Visualizing Phonon Modes Baer, Bradly
[QE-users] Visualizing Phonon Modes Paolo Giannozzi
[QE-users] WFs confined within the unit-cell EMANUEL ALBERTO MARTINEZ
[QE-users] WFs confined within the unit-cell Nicola Marzari
[QE-users] WFs confined within the unit-cell Nicola Marzari
[QE-users] WFs confined within the unit-cell EMANUEL ALBERTO MARTINEZ
[QE-users] WFs confined within the unit-cell Robert Fleming
[QE-users] WFs confined within the unit-cell Robert Fleming
[QE-users] WFs confined within the unit-cell Robert Fleming
[QE-users] WFs confined within the unit-cell Robert Fleming

Last message date: Wed Aug 31 11:21:11 CEST 2022
Archived on: Wed Aug 31 11:21:00 CEST 2022

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