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• 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
• 2025/06/10 [QE-users] ld1.x problem for testing pseudo potential Tomoya Naito
• 2025/06/10 [QE-users] Segmentation Fault in QE calculation Sayan Mandal via users
• 2025/06/10 Re: [QE-users] phonon linewidth calculation Lorenzo Paulatto
• 2025/06/09 [QE-users] [GGA PBE error] 박기명
• 2025/06/09 [QE-users] Error while running quantum espresso in Macos Monika Srivastava via users
• 2025/06/09 Re: [QE-users] phonon linewidth calculation Ivan Dario Arellano Ramirez
• 2025/06/07 Re: [QE-users] phonon linewidth calculation Lorenzo Paulatto
• 2025/06/06 [QE-users] phonon linewidth calculation Ivan Dario Arellano Ramirez
• 2025/06/06 Re: [QE-users] phonon dispersion Ivan Dario Arellano Ramirez
• 2025/06/06 Re: [QE-users] Non-collinear magnetism MPI run Paolo Giannozzi
• 2025/06/05 Re: [QE-users] Preserve space group during relaxation Lorenzo Paulatto
• 2025/06/05 [QE-users] Preserve space group during relaxation Dr. Sheharyar Pervez Assistant Professor FES
• 2025/06/05 [QE-users] Non-collinear magnetism MPI run Marios Georgiou via users
• 2025/06/05 Re: [QE-users] phonon dispersion Paolo Giannozzi
• 2025/06/05 Re: [QE-users] phonon dispersion Paolo Giannozzi
• 2025/06/02 Re: [QE-users] Trouble with MoSe2 Giovanni Cantele
• 2025/05/31 Re: [QE-users] [SPAM] Re: Pair atoms from input with output atoms ? Lorenzo Paulatto
• 2025/05/30 Re: [QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso Wei Bin How
• 2025/05/30 Re: [QE-users] [SPAM] Re: Pair atoms from input with output atoms ? Michal Husak via users
• 2025/05/30 Re: [QE-users] Trouble with MoSe2 Giovanni Cantele
• 2025/05/29 [QE-users] Trouble with MoSe2 AMOGH A .
• 2025/05/29 Re: [QE-users] [SPAM] Re: Pair atoms from input with output atoms ? Stefano Baroni
• 2025/05/29 Re: [QE-users] [SPAM] Re: Pair atoms from input with output atoms ? Michal Husak via users
• 2025/05/29 Re: [QE-users] Pair atoms from input with output atoms ? Lorenzo Paulatto
• 2025/05/28 Re: [QE-users] YBCO (001) slabs: "convergence" problem Giovanni Cantele
• 2025/05/28 Re: [QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso Pietro Davide Delugas
• 2025/05/28 [QE-users] el_ph_sigma LL via users
• 2025/05/28 [QE-users] [SPAM] ?????? problem with ph.x in calculating x-point phonon LL via users
• 2025/05/28 [QE-users] Pair atoms from input with output atoms ? Husak Michal via users
• 2025/05/28 Re: [QE-users] YBCO (001) slabs: "convergence" problem michele de angelis
• 2025/05/28 [QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso Wei Bin How
• 2025/05/28 Re: [QE-users] YBCO (001) slabs: "convergence" problem Pietro Davide Delugas
• 2025/05/28 Re: [QE-users] YBCO (001) slabs: "convergence" problem Giovanni Cantele
• 2025/05/28 [QE-users] YBCO (001) slabs: "convergence" problem michele de angelis
• 2025/05/27 [QE-users] How to choose appropriate emass and dt in cp.x with occupations = 'ensemble'? Ms.Shruthi A S via users
• 2025/05/27 Re: [QE-users] Getting electrostatic potential in atomic site Lorenzo Paulatto
• 2025/05/25 [QE-users] Getting electrostatic potential in atomic site Lorenzo Sponza
• 2025/05/25 Re: [QE-users] problem with ph.x in calculating x-point phonon Lorenzo Paulatto
• 2025/05/25 [QE-users] problem with ph.x in calculating x-point phonon ?????? via users
• 2025/05/22 [QE-users] CPMD Setup Guidelines for Metallic 2D Heterostructure System Ms.Shruthi A S via users
• 2025/05/22 [QE-users] QE convergence problem for molecular crystal Si, Pradip via users
• 2025/05/22 Re: [QE-users] Regarding the optimization of SCF calculations in supercells Paolo Giannozzi
• 2025/05/22 Re: [QE-users] Regarding the optimization of SCF calculations in supercells Mateus Corradini Lopes
• 2025/05/22 Re: [QE-users] Regarding the optimization of SCF calculations in supercells Giovanni Cantele
• 2025/05/22 Re: [QE-users] Regarding the optimization of SCF calculations in supercells Lorenzo Paulatto
• 2025/05/22 [QE-users] Regarding the optimization of SCF calculations in supercells Mateus Corradini Lopes
• 2025/05/19 Re: [QE-users] Regarding query about HSE run in Quantum espresso Abdesalem Houari via users
• 2025/05/19 [QE-users] Regarding query about HSE run in Quantum espresso BINOY CHANDRA DEY via users
• 2025/05/16 Re: [QE-users] How does one read a wfck2r.x Post-processed file? Stefano de Gironcoli
• 2025/05/16 [QE-users] Raman with DFT+U Angsula Ghosh via users
• 2025/05/16 [QE-users] How does one read a wfck2r.x Post-processed file? By_Doma via users
• 2025/05/16 [QE-users] [SPAM] Re: How does one read a wfck2r.x Post-processed file? By_Doma via users
• 2025/05/15 [QE-users] ?????? ?????? Which matrix the 'fildvscf' tag will calcualte? ???????? via users
• 2025/05/15 [QE-users] How does one read a wfck2r.x Post-processed file? By_Doma via users
• 2025/05/15 [QE-users] [SPAM] By_Doma via users
• 2025/05/14 [QE-users] Parallelization levels Abdesalem Houari via users
• 2025/05/13 Re: [QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs Wang Xing
• 2025/05/13 Re: [QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs Paolo Giannozzi
• 2025/05/13 Re: [QE-users] 回复： Which matrix the 'fildvscf' tag will calcualte? Stefano de Gironcoli
• 2025/05/12 [QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs Wang Xing
• 2025/05/12 [QE-users] Error in band structure calculations Zhao Yi-Feng
• 2025/05/12 Re: [QE-users] alat Units in VC-relax query Vahid Askarpour
• 2025/05/12 [QE-users] alat Units in VC-relax query Sri Matta via users
• 2025/05/12 [QE-users] ?????? Which matrix the 'fildvscf' tag will calcualte? ???????? via users
• 2025/05/12 [QE-users] ?????? Which matrix the 'fildvscf' tag will calcualte? ???????? via users
• 2025/05/12 [QE-users] ?????? Which matrix the 'fildvscf' tag will calcualte? ???????? via users
• 2025/05/12 Re: [QE-users] users Digest, Vol 214, Issue 10 Timrov Iurii
• 2025/05/12 Re: [QE-users] Format of the interatomic force constant .fc file Lorenzo Paulatto
• 2025/05/11 [QE-users] ?????? Which matrix the 'fildvscf' tag will calcualte? ???????? via users
• 2025/05/11 [QE-users] 答复: users Digest, Vol 214, Issue 10 Zhao Yi-Feng
• 2025/05/11 Re: [QE-users] Format of the interatomic force constant .fc file Chirantan Pramanik
• 2025/05/11 Re: [QE-users] Which matrix the 'fildvscf' tag will calcualte? Stefano de Gironcoli
• 2025/05/11 [QE-users] Which matrix the 'fildvscf' tag will calcualte? ???????? via users
• 2025/05/10 Re: [QE-users] The long time takes in calculation of Computing stress and pressure during vc-relax Timrov Iurii
• 2025/05/09 [QE-users] The long time takes in calculation of Computing stress and pressure during vc-relax Zhao Yi-Feng
• 2025/05/09 Re: [QE-users] (no subject) Giovanni Cantele
• 2025/05/09 Re: [QE-users] (no subject) mahmudi . ft
• 2025/05/08 [QE-users] (no subject) fatemeh mahmudi
• 2025/05/07 Re: [QE-users] Test-suite failures with parallel QE Paolo Giannozzi
• 2025/05/07 Re: [QE-users] (no subject) Giovanni Cantele
• 2025/05/07 [QE-users] (no subject) fatemeh mahmudi
• 2025/05/07 [QE-users] (no subject) fatemeh mahmudi
• 2025/05/06 Re: [QE-users] SCF Convergence Nosym Giovanni Cantele
• 2025/05/06 Re: [QE-users] VC_relax calculation Giovanni Cantele
• 2025/05/06 Re: [QE-users] Test-suite failures with parallel QE Ian Dunn via users
• 2025/05/06 Re: [QE-users] Format of the interatomic force constant .fc file Lorenzo Paulatto
• 2025/05/05 [QE-users] VC_relax calculation fatemeh mahmudi
• 2025/05/05 [QE-users] SCF Convergence Nosym Ian Dunn via users
• 2025/05/05 [QE-users] (no subject) fatemeh mahmudi
• 2025/05/05 Re: [QE-users] DFT+U+V neighbour allocation extremely slow and not parallelized Timrov Iurii
• 2025/05/01 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/05/01 Re: [QE-users] QE-GPU Fabrizio Ferrari Ruffino
• 2025/05/01 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Giovanni Cantele
• 2025/05/01 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/30 [QE-users] QE-GPU Holger Euchner
• 2025/04/28 [QE-users] [SPAM] Re: Electron-phonon coulpiong with Hubbard U 308481662 via users
• 2025/04/28 Re: [QE-users] [SPAM] Electron-phonon coulpiong with Hubbard U Timrov Iurii
• 2025/04/28 [QE-users] [SPAM] Electron-phonon coulpiong with Hubbard U 308481662 via users
• 2025/04/27 [QE-users] Request for resolving my issue Danish Raaza via users
• 2025/04/26 Re: [QE-users] users Digest, Vol 213, Issue 23 Barsha Pal
• 2025/04/26 Re: [QE-users] bfgs failed after 25 scf cycles and 23 bfgs steps, convergence not achieved Paolo Giannozzi
• 2025/04/26 Re: [QE-users] bfgs failed after 25 scf cycles and 23 bfgs steps, convergence not achieved Lorenzo Paulatto
• 2025/04/26 [QE-users] bfgs failed after 25 scf cycles and 23 bfgs steps, convergence not achieved Barsha Pal
• 2025/04/25 Re: [QE-users] [SPAM] Incorrect Visualization of Ba₂ZrS₄ Body-Centered Tetragonal Structure in XCrySDen from Quantum ESPRESSO Input Husak Michal via users
• 2025/04/24 Re: [QE-users] Test-suite failing QE-7.4.1 Giacomo De Santis via users
• 2025/04/24 Re: [QE-users] Test-suite failing QE-7.4.1 Pietro Davide Delugas
• 2025/04/24 Re: [QE-users] Test-suite failing QE-7.4.1 Giacomo De Santis via users
• 2025/04/24 Re: [QE-users] Meaning of three G vectors sets Lorenzo Paulatto
• 2025/04/24 [QE-users] Meaning of three G vectors sets Lorenzo Sponza
• 2025/04/22 [QE-users] Units of velocity Annam, Roshan Sameer
• 2025/04/22 [QE-users] Compatibility of lelfield = .true. with PAW Pseudopotentials Minsung An
• 2025/04/21 Re: [QE-users] Test-suite failing QE-7.4.1 Pietro Davide Delugas
• 2025/04/21 Re: [QE-users] Regarding not saving .xml in tmp directory Paolo Giannozzi
• 2025/04/21 Re: [QE-users] Test-suite failing QE-7.4.1 Paolo Giannozzi
• 2025/04/21 [QE-users] Regarding not saving .xml in tmp directory BINOY CHANDRA DEY via users
• 2025/04/20 [QE-users] Test-suite failing QE-7.4.1 Giacomo De Santis via users
• 2025/04/20 [QE-users] Raman intensity can not display LIANG Xiongyi
• 2025/04/19 Re: [QE-users] Help in spin polarized calculation for surface dangling bonds Giovanni Cantele
• 2025/04/19 Re: [QE-users] Help in spin polarized calculation for surface dangling bonds Lorenzo Sponza
• 2025/04/19 Re: [QE-users] Help in spin polarized calculation for surface dangling bonds Giovanni Cantele
• 2025/04/19 [QE-users] Help in spin polarized calculation for surface dangling bonds Lorenzo Sponza
• 2025/04/17 [QE-users] Error in NEB calculation: BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES jkmodi22
• 2025/04/16 [QE-users] which dispersion correction works for spinorbit ? milias
• 2025/04/16 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Giovanni Cantele
• 2025/04/15 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Stefano Baroni
• 2025/04/15 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/15 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Stefano de Gironcoli
• 2025/04/15 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/15 [QE-users] QE and BoltzTraP2 " inconsistent set of k points "erroe YOSHIZAKI Takashi
• 2025/04/14 [QE-users] self_energy_storage.f90: warning #5462: Global name too long 孙家法
• 2025/04/14 Re: [QE-users] importexport_binary.x executable missing in latest QE versions Paolo Giannozzi
• 2025/04/12 [QE-users] Charge density difference calculation owais farooq
• 2025/04/11 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Stefano de Gironcoli
• 2025/04/11 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/11 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/10 [QE-users] [QE-user Stress tensor result difference between qe and vasp np_wangyi
• 2025/04/10 [QE-users] Regarding unit conversion for polarisation from C/m2 to C/m jkmodi22
• 2025/04/09 [QE-users] Correct symmetry setup NaCl Ian Dunn via users
• 2025/04/09 [QE-users] Vacuum potential after using assume isolated= 2d NILOTPAL DEKA
• 2025/04/08 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/08 Re: [QE-users] importexport_binary.x executable missing in latest QE versions Yuvam Bhateja via users
• 2025/04/08 Re: [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Kazume NISHIDATE
• 2025/04/08 [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues Shubham Patel
• 2025/04/07 Re: [QE-users] QE crashes with non-local functionals Paolo Giannozzi
• 2025/04/07 Re: [QE-users] Test-suite failures with parallel QE Paolo Giannozzi
• 2025/04/07 [QE-users] Test-suite failures with parallel QE Ian Dunn via users
• 2025/04/07 Re: [QE-users] QE crashes with non-local functionals Nurit Manukovsky
• 2025/04/06 Re: [QE-users] importexport_binary.x executable missing in latest QE versions Paolo Giannozzi
• 2025/04/06 [QE-users] importexport_binary.x executable missing in latest QE versions Yuvam Bhateja via users
• 2025/04/05 Re: [QE-users] Test-suite failing QE-7.4.1 Ian Dunn via users
• 2025/04/05 [QE-users] How to Get the Occupation Number from QE? 谭 聪
• 2025/04/05 Re: [QE-users] Test-suite failing QE-7.4.1 Pietro Davide Delugas
• 2025/04/05 [QE-users] output file of Ni.pp shows namelist plot not found orinvalid. owais farooq
• 2025/04/04 [QE-users] Problem with mBJ (tb09, meta-gga) calculations Sergeev Gregory
• 2025/04/04 Re: [QE-users] QE crashes with non-local functionals Pietro Davide Delugas
• 2025/04/03 Re: [QE-users] Test-suite failing QE-7.4.1 Ian Dunn via users
• 2025/04/02 Re: [QE-users] Test-suite failing QE-7.4.1 Pietro Davide Delugas
• 2025/04/02 Re: [QE-users] Test-suite failing QE-7.4.1 Paolo Giannozzi
• 2025/04/02 [QE-users] Test-suite failing QE-7.4.1 Ian Dunn via users
• 2025/04/01 [QE-users] Issue when running phonon calculations with ph.x (qe.7.3.1) H. BOUAFIA
• 2025/03/29 Re: [QE-users] Elastic Constant with PWSCF in Quantum Espresso Stefano de Gironcoli
• 2025/03/29 Re: [QE-users] Elastic Constant with PWSCF in Quantum Espresso Giovanni Cantele
• 2025/03/29 [QE-users] Elastic Constant with PWSCF in Quantum Espresso Jonathan Konyi Kakulu

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