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• 2025/09/25 [QE-users] NEB calculation to investigate the energy barrier IMANE BEZZAOUI
• 2025/09/23 [QE-users] How to calculate the Dynamical quadrupoles in the qe v7.5? ???????? via users
• 2025/09/20 Re: [QE-users] Does max value of k points in BZ change based on sampling? Md Jahid Hasan Sagor
• 2025/09/15 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
• 2025/09/15 [QE-users] setting in d3_tk.x input file Annam, Roshan Sameer
• 2025/09/15 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
• 2025/09/14 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
• 2025/09/12 [QE-users] Does max value of k points in BZ change based on sampling? Md Jahid Hasan Sagor
• 2025/09/11 Re: [QE-users] Out of Memory on GPU cluster with SOC Paolo Giannozzi
• 2025/09/10 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
• 2025/09/10 [QE-users] Installation error of qe-7.5 jibiaoli
• 2025/09/10 [QE-users] Out of Memory on GPU cluster with SOC Christian Kern
• 2025/09/09 [QE-users] Vc-relax file is keep on running Monika Srivastava via users
• 2025/09/08 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
• 2025/09/08 Re: [QE-users] Can phonon calculations be done on a GPU? ???????? via users
• 2025/09/07 Re: [QE-users] Can phonon calculations be done on a GPU? Ivan Carnimeo
• 2025/09/07 [QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation Erik Hansen via users
• 2025/09/07 [QE-users] Add molecules in the metal slab TUBAI CHOWDHURY
• 2025/09/06 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
• 2025/09/06 [QE-users] Can phonon calculations be done on a GPU? ???????? via users
• 2025/09/05 Re: [QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation Paolo Giannozzi
• 2025/09/04 [QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation Erik Hansen via users
• 2025/09/03 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
• 2025/09/03 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
• 2025/09/03 Re: [QE-users] NEB under lelfield Pietro Davide Delugas
• 2025/09/03 Re: [QE-users] NEB under lelfield Masahito YOSHINO via users
• 2025/09/02 Re: [QE-users] VACUUM POTENTIAL NOT ZERO CALULATION Lorenzo Paulatto
• 2025/09/02 [QE-users] VACUUM POTENTIAL NOT ZERO CALULATION Barsha Pal
• 2025/09/02 Re: [QE-users] the number of k points in output file is different with that in input file Pietro Davide Delugas
• 2025/09/02 Re: [QE-users] the number of k points in output file is different with that in input file SIDDHARTH SASTRI .
• 2025/09/01 Re: [QE-users] NEB under lelfield Pietro Davide Delugas
• 2025/08/31 [QE-users] NEB under lelfield Masahito YOSHINO via users
• 2025/08/31 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
• 2025/08/31 Re: [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Lorenzo Paulatto
• 2025/08/31 [QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
• 2025/08/30 [QE-users] Question to the forum about QE Calculation Imtiaz, Nafiz
• 2025/08/30 [QE-users] the number of k points in output file is different with that in input file ???????? via users
• 2025/08/28 Re: [QE-users] CASINO pseudopotentials - RAM overflow? Christoph Wolf via users
• 2025/08/28 Re: [QE-users] How to obtained full dynamical matrix files in QE Lorenzo Paulatto
• 2025/08/28 [QE-users] How to obtained full dynamical matrix files in QE SPPU/05097P/2021 OYOMO BILL C
• 2025/08/28 [QE-users] Optimization stuck at bfgs step Barsha Pal
• 2025/08/27 [QE-users] Fermi Level in ESM-RISM SOHIB AHMAD
• 2025/08/27 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Maliheh Nazari
• 2025/08/27 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Lorenzo Paulatto
• 2025/08/27 Re: [QE-users] CASINO pseudopotentials - RAM overflow? Paolo Giannozzi
• 2025/08/27 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Maliheh Nazari
• 2025/08/27 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Lorenzo Paulatto
• 2025/08/26 [QE-users] CASINO pseudopotentials - RAM overflow? Christoph Wolf via users
• 2025/08/26 Re: [QE-users] Slow AIMD (BOMD and CPMD) Calculation for Organic System – Need Advice Hazra, Shilpa via users
• 2025/08/26 [QE-users] Slow AIMD (BOMD and CPMD) Calculation for Organic System – Need Advice Hazra, Shilpa via users
• 2025/08/26 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Vahid Askarpour
• 2025/08/26 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Paolo Giannozzi
• 2025/08/26 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Maliheh Nazari
• 2025/08/26 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Maliheh Nazari
• 2025/08/26 Re: [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Paolo Giannozzi
• 2025/08/26 [QE-users] Help with Error in Quantum ESPRESSO 7.4.1 Maliheh Nazari
• 2025/08/26 Re: [QE-users] HSE OPTIMIZATION Giuseppe Mattioli
• 2025/08/25 Re: [QE-users] GET BUCKLING IN OPTIMIZATION Lorenzo Paulatto
• 2025/08/25 [QE-users] GET BUCKLING IN OPTIMIZATION Barsha Pal
• 2025/08/25 Re: [QE-users] HSE OPTIMIZATION Taswar Iqbal via users
• 2025/08/25 [QE-users] HSE OPTIMIZATION Barsha Pal
• 2025/08/24 Re: [QE-users] Original Symmetry Operations Not Satisfied Paolo Giannozzi
• 2025/08/23 Re: [QE-users] kpoint Paolo Giannozzi
• 2025/08/23 [QE-users] kpoint Maral Zamani via users
• 2025/08/22 Re: [QE-users] Linewidths Annam, Roshan Sameer
• 2025/08/22 Re: [QE-users] Linewidths Lorenzo Paulatto
• 2025/08/21 [QE-users] d3_tk.x code output files Annam, Roshan Sameer
• 2025/08/20 Re: [QE-users] Linewidths Annam, Roshan Sameer
• 2025/08/20 Re: [QE-users] Linewidths Lorenzo Paulatto
• 2025/08/19 Re: [QE-users] Original Symmetry Operations Not Satisfied TUBAI CHOWDHURY
• 2025/08/19 Re: [QE-users] Linewidths Annam, Roshan Sameer
• 2025/08/19 Re: [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Stefano Baroni
• 2025/08/19 Re: [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Kazume NISHIDATE
• 2025/08/19 Re: [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Lorenzo Paulatto
• 2025/08/19 Re: [QE-users] Original Symmetry Operations Not Satisfied Paolo Giannozzi
• 2025/08/19 Re: [QE-users] Linewidths Lorenzo Paulatto
• 2025/08/18 [QE-users] Original Symmetry Operations Not Satisfied TUBAI CHOWDHURY
• 2025/08/18 [QE-users] Linewidths Annam, Roshan Sameer
• 2025/08/18 Re: [QE-users] [SPAM] Fourier Transform of Local Pseudopotential and G=0 limit Paolo Giannozzi
• 2025/08/18 Re: [QE-users] [SPAM] Fourier Transform of Local Pseudopotential and G=0 limit Erik Schultheis via users
• 2025/08/16 Re: [QE-users] planar average electrostatic potential in c direction for a 2D material Paolo Giannozzi
• 2025/08/16 [QE-users] planar average electrostatic potential in c direction for a 2D material Barsha Pal
• 2025/08/15 Re: [QE-users] Possible bug in the magnetization report in xml file Pietro Davide Delugas
• 2025/08/15 Re: [QE-users] Fwd: SPACE GROUP-POINT GROUP ERROR Paolo Giannozzi
• 2025/08/15 [QE-users] Fwd: SPACE GROUP-POINT GROUP ERROR Barsha Pal
• 2025/08/12 Re: [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Kazume NISHIDATE
• 2025/08/12 Re: [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Stefano Baroni
• 2025/08/12 Re: [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Chiara Cignarella via users
• 2025/08/12 [QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO Barsha Pal
• 2025/08/06 Re: [QE-users] Speed up force calculations Timrov Iurii
• 2025/08/06 Re: [QE-users] Speed up force calculations Prasenjit Ghosh via users
• 2025/08/06 Re: [QE-users] Speed up force calculations Prasenjit Ghosh via users
• 2025/08/06 Re: [QE-users] Speed up force calculations Timrov Iurii
• 2025/08/06 [QE-users] Speed up force calculations Prasenjit Ghosh via users
• 2025/08/06 [QE-users] Request for Guidance on Calculating Piezoelectric Tensors Using Quantum ESPRESSO T N Kulawardena
• 2025/07/31 Re: [QE-users] spin projected DOS from SO computations Giovanni Cantele
• 2025/07/31 [QE-users] spin projected DOS from SO computations Ronald Cohen
• 2025/07/30 [QE-users] dvscf in Phonon calculations Shubham Patel via users
• 2025/07/30 [QE-users] Wrong label in orbital projection wangzongyi via users
• 2025/07/29 [QE-users] Discussion on random matrix generation in set_irr_new: GOE or GUE songc...@mails.jlu.edu.cn
• 2025/07/29 [QE-users] [SPAM] Re: Error in ph.x calculation of rare earth system Yujia Teng
• 2025/07/29 [QE-users] [Webinar] Running QE on Cloud-Based HPC – Aug 5 Eunice Oliveira
• 2025/07/29 [QE-users] Negative charge density in slabs Marios Georgiou via users
• 2025/07/28 Re: [QE-users] Error in ph.x calculation of rare earth system Timrov Iurii
• 2025/07/27 [QE-users] Error in ph.x calculation of rare earth system Yujia Teng
• 2025/07/25 [QE-users] QE on USA DOD machines Tuttle, Blair Richard
• 2025/07/25 Re: [QE-users] Puzzle in doing band unfolding wangzongyi via users
• 2025/07/25 [QE-users] Problems with phonon calculation in qe-7.4.1 Ulrike Nitzsche
• 2025/07/23 [QE-users] Minimum Image Convention in compute_dipole.f90 Dyer, Brock via users
• 2025/07/23 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Kazume NISHIDATE
• 2025/07/22 Re: [QE-users] Issues with activating OSCDFT calculations in Quantum Espresso Timrov Iurii
• 2025/07/22 [QE-users] Issues with activating OSCDFT calculations in Quantum Espresso Gaikwad, Kunal via users
• 2025/07/21 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/21 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Vahid Askarpour
• 2025/07/21 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/21 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Kazume NISHIDATE
• 2025/07/21 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/21 Re: [QE-users] Visitors to Video on QESB09 list in a full queue and can not be loaded Nicola Marzari via users
• 2025/07/21 Re: [QE-users] Visitors to Video on QESB09 list in a full queue and can not be loaded Paolo Giannozzi
• 2025/07/20 [QE-users] Visitors to Video on QESB09 list in a full queue and can not be loaded ZHUNG Andio
• 2025/07/18 Re: [QE-users] vc-md simulation: Pressure stays below target Seitaro YAZAWA
• 2025/07/18 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Kazume NISHIDATE
• 2025/07/18 Re: [QE-users] Quantum about inconsistent K 111 and gamma sampling Shimin ZHANG via users
• 2025/07/18 [QE-users] Core potentials for Kumagai-Oba correction Dr. Sheharyar Pervez Assistant Professor FES
• 2025/07/18 Re: [QE-users] Quantum about inconsistent K 111 and gamma sampling Pietro Davide Delugas
• 2025/07/17 Re: [QE-users] Quantum about inconsistent K 111 and gamma sampling Giovanni Cantele
• 2025/07/17 [QE-users] Quantum about inconsistent K 111 and gamma sampling Shimin ZHANG via users
• 2025/07/16 Re: [QE-users] vc-md simulation: Pressure stays below target Kazume NISHIDATE
• 2025/07/16 Re: [QE-users] vc-md simulation: Pressure stays below target Seitaro YAZAWA
• 2025/07/14 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/14 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Paolo Giannozzi
• 2025/07/14 [QE-users] Makov-Payne Correction During Geometry Optimizations Dyer, Brock via users
• 2025/07/14 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Paolo Giannozzi
• 2025/07/14 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/14 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Stefano de Gironcoli
• 2025/07/13 [QE-users] Puzzle in doing band unfolding wangzongyi via users
• 2025/07/13 Re: [QE-users] vc-md simulation: Pressure stays below target Kazume NISHIDATE
• 2025/07/12 [QE-users] vc-md simulation: Pressure stays below target Seitaro YAZAWA
• 2025/07/12 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Vahid Askarpour
• 2025/07/12 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/12 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Paolo Giannozzi
• 2025/07/12 Re: [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy Stefano de Gironcoli
• 2025/07/11 [QE-users] HSE band calculation, ACE potential not found or not readable Anvari, Roozbeh
• 2025/07/11 [QE-users] [QE-GPU] pDOS abruptly ends before Fermi Energy André Luiz Koch Liston
• 2025/07/11 Re: [QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5 Pietro Davide Delugas
• 2025/07/11 Re: [QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5 Monika Srivastava via users
• 2025/07/10 Re: [QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5 AMOGH A .
• 2025/07/10 Re: [QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5 AMOGH A .
• 2025/07/10 Re: [QE-users] Second order Raman modes Gulshan Kumar via users
• 2025/07/10 Re: [QE-users] Calculation of kinetic energy ALFONSO GALLO BUENO
• 2025/07/10 Re: [QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5 Pietro Davide Delugas
• 2025/07/10 Re: [QE-users] Second order Raman modes Lorenzo Paulatto
• 2025/07/09 [QE-users] Second order Raman modes Gulshan Kumar via users
• 2025/07/09 [QE-users] Unable To Compile QE 7.2 on MacOS Sequoia 15.5 AMOGH A .
• 2025/07/04 [QE-users] Videos of QE-Summer School in 2009 on Materials Clouds could not be visited ZHUNG Andio
• 2025/06/30 Re: [QE-users] Problem with computed bandgap AISWARYA CHANDRAN via users
• 2025/06/30 Re: [QE-users] qe compiled with aocc and aocl is incompatible with ph.x Paolo Giannozzi
• 2025/06/30 [QE-users] qe compiled with aocc and aocl is incompatible with ph.x ???????? via users
• 2025/06/29 Re: [QE-users] Problem with computed bandgap Lorenzo Paulatto
• 2025/06/29 [QE-users] Problem with computed bandgap AISWARYA CHANDRAN via users
• 2025/06/24 [QE-users] Calculation of kinetic energy ALFONSO GALLO BUENO
• 2025/06/24 Re: [QE-users] Calculation of kinetic energy ALFONSO GALLO BUENO
• 2025/06/24 Re: [QE-users] Calculation of kinetic energy Paolo Giannozzi
• 2025/06/23 Re: [QE-users] Lattice Constant Choice for Ni₂TiGe (Full-Heusler) Calculations Lorenzo Paulatto
• 2025/06/22 [QE-users] Negative modes in phonon dispersion calculation LEKSHMI S M .
• 2025/06/20 Re: [QE-users] ⚛️ See the GRIR443 benchmark in action — no supercomputer needed ⚛️ Stefano Baroni
• 2025/06/20 [QE-users] ⚛️ See the GRIR443 benchmark in action — no supercomputer needed ⚛️ Eunice Oliveira
• 2025/06/19 Re: [QE-users] Question about |psi|^2 2D plot (XCrySDen) Toshiharu Higuchi via users
• 2025/06/18 Re: [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso Pietro Davide Delugas
• 2025/06/18 Re: [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso Lustig, Steve via users
• 2025/06/18 Re: [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso Pietro Davide Delugas
• 2025/06/18 Re: [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso Tone Kokalj
• 2025/06/18 [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso Lustig, Steve via users
• 2025/06/17 Re: [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations Paolo Giannozzi
• 2025/06/17 Re: [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations Shubham Patel
• 2025/06/17 Re: [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations Davide Ceresoli
• 2025/06/16 Re: [QE-users] Question about |psi|^2 2D plot (XCrySDen) Toshiharu Higuchi via users
• 2025/06/16 Re: [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1 Tone Kokalj
• 2025/06/16 [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations Shubham Patel
• 2025/06/15 Re: [QE-users] Question about |psi|^2 2D plot (XCrySDen) Paolo Giannozzi
• 2025/06/13 [QE-users] Question about |psi|^2 2D plot (XCrySDen) Toshiharu Higuchi via users
• 2025/06/13 Re: [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1 Lustig, Steve via users
• 2025/06/13 Re: [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1 Paolo Giannozzi
• 2025/06/13 Re: [QE-users] The real space wavefunction by wfck2r.x Paolo Giannozzi
• 2025/06/13 [QE-users] The real space wavefunction by wfck2r.x Yuvam Bhateja via users
• 2025/06/12 [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1 Lustig, Steve via users
• 2025/06/12 [QE-users] force_convergence_criteria Saroj Kumari, Dr
• 2025/06/11 Re: [QE-users] Segmentation Fault in QE calculation Paolo Giannozzi
• 2025/06/11 Re: [QE-users] Issue with scf_elastic_constants Calculation in thermo_pw (frozen_ions=.FALSE.) Vinay Maithani
• 2025/06/11 Re: [QE-users] Compile error of QE-7.4.1 Paolo Giannozzi
• 2025/06/11 Re: [QE-users] Run error of local density of electronic entropy Paolo Giannozzi
• 2025/06/11 Re: [QE-users] ld1.x problem for testing pseudo potential Tomoya Naito
• 2025/06/10 Re: [QE-users] phonon linewidth calculation Lorenzo Paulatto
• 2025/06/10 Re: [QE-users] ld1.x problem for testing pseudo potential Lorenzo Paulatto
• 2025/06/10 Re: [QE-users] manual choosing random_seed Mpayami via users
• 2025/06/10 [QE-users] Wrong data of reduced density gradient jibiaoli
• 2025/06/10 [QE-users] Run error of local density of electronic entropy jibiaoli
• 2025/06/10 [QE-users] Compile error of QE-7.4.1 jibiaoli
• 2025/06/10 Re: [QE-users] phonon linewidth calculation Ivan Dario Arellano Ramirez
• 2025/06/10 [QE-users] manual choosing random_seed Mpayami via users

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