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• 2025/03/28 [QE-users] Working principle of press tag in vc relax calculation Anupriya Nyayban
• 2025/03/28 Re: [QE-users] Symmetry Not Recognized in SCF Calculation for a 2D Carbon Allotrope (ibrav=6) Giovanni Cantele
• 2025/03/28 [QE-users] Symmetry Not Recognized in SCF Calculation for a 2D Carbon Allotrope (ibrav=6) Zimmi Singh
• 2025/03/27 [QE-users] Symmetry handling for solid solution Deoyani Shelke via users
• 2025/03/25 [QE-users] Carbon nanotube maker Kazume NISHIDATE
• 2025/03/24 Re: [QE-users] Issue with Molecular Orbital Plot in Quantum ESPRESSO (Cu₂Cl₆ System) Paolo Giannozzi
• 2025/03/24 Re: [QE-users] Issue with Molecular Orbital Plot in Quantum ESPRESSO (Cu₂Cl₆ System) Jonathan Konyi Kakulu
• 2025/03/24 [QE-users] Issue with Molecular Orbital Plot in Quantum ESPRESSO (Cu₂Cl₆ System) Prem Prakash Sahu
• 2025/03/23 [QE-users] QE build for Windows under MSYS2 .... Michal Husak via users
• 2025/03/21 Re: [QE-users] QE build for Windows under MSYS2 .... Fedor via users
• 2025/03/21 Re: [QE-users] QE build for Windows under MSYS2 .... Fedor via users
• 2025/03/20 [QE-users] Electronic-structure simulations for user communities at large scale facilities Nicola Marzari via users
• 2025/03/17 [QE-users] Fw: Issue regarding electrostatic potential profile Ankush Bharti via users
• 2025/03/17 Re: [QE-users] pw.x - regrouping atoms Lorenzo Paulatto
• 2025/03/16 [QE-users] pw.x - regrouping atoms Fnukal Frantisek via users
• 2025/03/15 Re: [QE-users] Xcryden :Warning message "Huge number of bonds " Tone Kokalj
• 2025/03/15 Re: [QE-users] Xcryden :Warning message "Huge number of bonds " Ms. Chandrika K. via users
• 2025/03/15 [QE-users] Query Regarding Unusually Large Binding Energies for Co/Ni Doping on a substrate ASWATHY JAYAPRAKASH
• 2025/03/14 [QE-users] Issue regarding electrostatic potential profile Ankush Bharti via users
• 2025/03/14 Re: [QE-users] (no subject) Paolo Giannozzi
• 2025/03/14 Re: [QE-users] Xcryden :Warning message "Huge number of bonds " Pietro Davide Delugas
• 2025/03/14 Re: [QE-users] Fw: Xcryden :Warning message "Huge number of bonds " Tone Kokalj
• 2025/03/14 Re: [QE-users] Xcryden :Warning message "Huge number of bonds " Paolo Giannozzi
• 2025/03/14 [QE-users] Segmentation fault while using Wannier90 with Qauntum ESPRESSO Yuvam Bhateja via users
• 2025/03/14 Re: [QE-users] Xcryden :Warning message "Huge number of bonds " Tone Kokalj
• 2025/03/14 [QE-users] [SPAM] Re: V2C showing V-V bonds Giovanni La Penna
• 2025/03/14 [QE-users] Xcryden :Warning message "Huge number of bonds " Ms. Chandrika K. via users
• 2025/03/13 Re: [QE-users] V2C showing V-V bonds Ms.Shruthi A S via users
• 2025/03/13 Re: [QE-users] V2C showing V-V bonds Tone Kokalj
• 2025/03/13 [QE-users] V2C showing V-V bonds Ms.Shruthi A S via users
• 2025/03/11 [QE-users] Compilation issue under MacOs: 7.3 versus 7.3.1 Giovanni Cantele
• 2025/03/11 [QE-users] (no subject) Gulshan Kumar via users
• 2025/03/11 Re: [QE-users] Query Regarding Zero Activation Energy in NEB Calculations Dyer, Brock
• 2025/03/11 [QE-users] Query Regarding Zero Activation Energy in NEB Calculations ASWATHY JAYAPRAKASH
• 2025/03/10 Re: [QE-users] [vc-relax and ion-convergence(3) error] Giuseppe Mattioli
• 2025/03/10 [QE-users] Relativistic momentum operator Thomas Brumme
• 2025/03/10 [QE-users] [vc-relax and ion-convergence(3) error] 박기명
• 2025/03/10 [QE-users] Phonon calculation does not finish 徳山和映 via users
• 2025/03/10 Re: [QE-users] Error during fqha.x calculation Paolo Giannozzi
• 2025/03/09 [QE-users] Error during fqha.x calculation Suraj P
• 2025/03/08 [QE-users] Error during fqha.x calculation Suraj P
• 2025/03/07 Re: [QE-users] Problem in Band Gap Calculation Using PBE with Different Pseudopotentials Giovanni Cantele
• 2025/03/07 Re: [QE-users] QE version causing difference (Gulshan Kumar) EDUARDO ARIEL MENENDEZ PROUPIN
• 2025/03/07 Re: [QE-users] assignments of N-K edge XAS peaks in NH2CH3 Lorenzo Paulatto
• 2025/03/06 [QE-users] assignments of N-K edge XAS peaks in NH2CH3 Ishiyama , Takahisa_石山 貴久
• 2025/03/06 [QE-users] Compiling optimal QE in HPC Abdul Muhaymin via users
• 2025/03/06 Re: [QE-users] Compilation issue under MacOs: 7.3 versus 7.3.1 Pietro Davide Delugas
• 2025/03/05 Re: [QE-users] Details of Automatic FFT Grid Size Calculation Dyer, Brock
• 2025/03/05 [QE-users] Problem in Band Gap Calculation Using PBE with Different Pseudopotentials Zahid Rashid via users
• 2025/03/05 Re: [QE-users] QE version causing difference Giovanni Cantele
• 2025/03/05 [QE-users] QE version causing difference Gulshan Kumar via users
• 2025/03/04 Re: [QE-users] Discrepancy in k-point sampling Zimmi Singh
• 2025/03/04 [QE-users] Issue with scf_elastic_constants Calculation in thermo_pw (frozen_ions=.FALSE.) Vinay Maithani
• 2025/03/04 Re: [QE-users] Discrepancy in k-point sampling Giovanni Cantele
• 2025/03/02 Re: [QE-users] Details of Automatic FFT Grid Size Calculation Stefano de Gironcoli
• 2025/03/02 Re: [QE-users] Details of Automatic FFT Grid Size Calculation Pietro Davide Delugas
• 2025/03/01 Re: [QE-users] Details of Automatic FFT Grid Size Calculation Dyer, Brock
• 2025/02/27 Re: [QE-users] relax calculation on MD snapshots Chirantan Pramanik
• 2025/02/27 Re: [QE-users] Details of Automatic FFT Grid Size Calculation Stefano de Gironcoli
• 2025/02/27 [QE-users] Details of Automatic FFT Grid Size Calculation Dyer, Brock
• 2025/02/27 Re: [QE-users] Xsf to cube Meysam Pazoki via users
• 2025/02/26 Re: [QE-users] Xsf to cube Tone Kokalj
• 2025/02/26 [QE-users] Xsf to cube Meysam Pazoki via users
• 2025/02/26 Re: [QE-users] Problem stabilizing a di-anionic molecule Christoph Wolf
• 2025/02/25 Re: [QE-users] relax calculation on MD snapshots Giuseppe Mattioli
• 2025/02/24 Re: [QE-users] Problem stabilizing a di-anionic molecule Nicola Marzari via users
• 2025/02/24 [QE-users] Problem stabilizing a di-anionic molecule Christoph Wolf
• 2025/02/24 [QE-users] [Webinar Announcement] 𝗨𝗻𝗱𝗲𝗿𝘀𝘁𝗮𝗻𝗱𝗶𝗻𝗴 𝗮𝗻𝗱 𝗔𝗽𝗽𝗹𝘆𝗶𝗻𝗴 𝗧𝗵𝗲𝗿𝗺𝗼𝗱𝘆𝗻𝗮𝗺𝗶𝗰 𝗖𝗮𝗹𝗰𝘂𝗹𝗮𝘁𝗶𝗼𝗻𝘀 with 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗦𝗾𝘂𝗮𝗿𝗲 Minkyu Park
• 2025/02/24 [QE-users] Format of the dynamical matrix 宋克楠
• 2025/02/23 [QE-users] gww.x doesn't support `-in` flag Abdul Muhaymin via users
• 2025/02/23 Re: [QE-users] relax calculation on MD snapshots Giuseppe Mattioli
• 2025/02/23 [QE-users] relax calculation on MD snapshots Chirantan Pramanik
• 2025/02/23 Re: [QE-users] QE for HgTe with Spin-Orbit Coupling 박기명
• 2025/02/21 [QE-users] QE for HgTe with Spin-Orbit Coupling sally issa
• 2025/02/20 Re: [QE-users] Pseudo generation for meta-GGAs Sofia Anna SCOZZIERO via users
• 2025/02/20 [QE-users] Transport calculation in wannier90 with ht_read = .true. Yuvam Bhateja via users
• 2025/02/19 Re: [QE-users] Pseudo generation for meta-GGAs Husak Michal via users
• 2025/02/19 [QE-users] Pseudo generation for meta-GGAs Sofia Anna SCOZZIERO via users
• 2025/02/17 [QE-users] Sorting issues in transport calculations in Graphene nanoribbon Yuvam Bhateja via users
• 2025/02/16 Re: [QE-users] Electron Mobility Calculations Melsa Rose Ducut via users
• 2025/02/13 Re: [QE-users] Absolute Magnetization diverging Nicola Marzari via users
• 2025/02/13 Re: [QE-users] Absolute Magnetization diverging Johnson, Miles R.
• 2025/02/13 Re: [QE-users] Absolute Magnetization diverging Nicola Marzari via users
• 2025/02/13 [QE-users] Absolute Magnetization diverging Johnson, Miles R.
• 2025/02/13 [QE-users] ph.x stuck after modes number estimation Buccella Giacomo (RSE)
• 2025/02/12 [QE-users] How to enable symmetry in ph.x calculation SOUMYOJIT CHATTERJEE 20211
• 2025/02/11 [QE-users] Yambo School on Many-Body Perturbation Theory (MBPT) and Excited-State Simulations Andrea Ferretti
• 2025/02/10 [QE-users] Problem with the LDA-1/2 code (ld1) Rishabh Saraswat
• 2025/02/10 Re: [QE-users] Irreducible set of k-points Lukas Cvitkovich
• 2025/02/10 Re: [QE-users] CRASH in bands calculations. Paolo Giannozzi
• 2025/02/10 Re: [QE-users] Irreducible set of k-points Stefano de Gironcoli
• 2025/02/10 Re: [QE-users] Irreducible set of k-points Paolo Giannozzi
• 2025/02/10 [QE-users] Irreducible set of k-points Lukas Cvitkovich
• 2025/02/09 [QE-users] CRASH in bands calculations. Saim Egemen YÜCEL
• 2025/02/09 [QE-users] XMCD from Wannier90 Vahid Askarpour
• 2025/02/07 Re: [QE-users] {Disarmed} Re: Regarding K path in bands calculation. saiyadmas
• 2025/02/07 Re: [QE-users] Regarding K path in bands calculation. Giovanni Cantele
• 2025/02/06 [QE-users] Regarding K path in bands calculation. saiyadmas
• 2025/02/06 Re: [QE-users] conflicting values for igcx Error Stefano de Gironcoli
• 2025/02/06 [QE-users] conflicting values for igcx Error Francesco Ciccarello via users
• 2025/02/05 Re: [QE-users] QE-GPU Installation on i9/RTX4070 setup Paolo Giannozzi
• 2025/02/05 [QE-users] QE-GPU Installation on i9/RTX4070 setup R T Phillips via users
• 2025/02/04 Re: [QE-users] Installing QE for GPUs: LAXlib says cuSOLVER does not have cusolverDnZhegvdx Pietro Davide Delugas
• 2025/02/04 [QE-users] Installing QE for GPUs: LAXlib says cuSOLVER does not have cusolverDnZhegvdx van Dam, Dr. Hubertus
• 2025/01/30 Re: [QE-users] QE-GPU - cudafor not found Pietro Davide Delugas
• 2025/01/30 Re: [QE-users] QE-GPU - cudafor not found R T Phillips via users
• 2025/01/30 Re: [QE-users] QE-GPU - cudafor not found Pietro Davide Delugas
• 2025/01/30 Re: [QE-users] QE-GPU - cudafor not found Paolo Giannozzi
• 2025/01/30 [QE-users] QE-GPU - cudafor not found R T Phillips via users
• 2025/01/28 Re: [QE-users] Error message after JOB DONE Paolo Giannozzi
• 2025/01/28 Re: [QE-users] Error in bands.x "c_bands: 1 eigenvalues not converged" Pietro Davide Delugas
• 2025/01/27 [QE-users] Error in bands.x "c_bands: 1 eigenvalues not converged" jkmodi22
• 2025/01/27 Re: [QE-users] Incorporation of one atom in a structure Taswar Iqbal via users
• 2025/01/27 [QE-users] Error message after JOB DONE 박기명
• 2025/01/26 [QE-users] Incorporation of one atom in a structure Gulshan Kumar via users
• 2025/01/24 [QE-users] Issue with "WARNING: bfgs curvature condition failed, Theta= 0.667" Ning ZHANG
• 2025/01/24 Re: [QE-users] Issue with "End of File Reached, Closing Tag Not Found" Error in Quantum ESPRESSO Paolo Giannozzi
• 2025/01/24 Re: [QE-users] Issue with "End of File Reached, Closing Tag Not Found" Error in Quantum ESPRESSO Paolo Giannozzi
• 2025/01/24 [QE-users] Issue with "End of File Reached, Closing Tag Not Found" Error in Quantum ESPRESSO ASWATHY JAYAPRAKASH
• 2025/01/22 Re: [QE-users] help generating pseudo potentials Lucian D. Filip
• 2025/01/22 Re: [QE-users] help generating pseudo potentials Paolo Giannozzi
• 2025/01/22 Re: [QE-users] Issue with SCAN and libxc Fabrizio Ferrari Ruffino
• 2025/01/22 Re: [QE-users] help generating pseudo potentials Lucian D. Filip
• 2025/01/22 [QE-users] Issue with SCAN and libxc Sofia Anna SCOZZIERO via users
• 2025/01/22 Re: [QE-users] help generating pseudo potentials Lorenzo Paulatto
• 2025/01/21 [QE-users] help generating pseudo potentials Lucian D. Filip
• 2025/01/21 [QE-users] NaN Energy Issue in Quantum ESPRESSO 7.3.1 with 'twochem = .true.' for SOC Calculations Giovanni Marini
• 2025/01/20 [QE-users] NaN Energy Issue in Quantum ESPRESSO 7.3.1 with 'twochem = .true.' for SOC Calculations 1548737453 via users
• 2025/01/19 Re: [QE-users] Error in routine smallgk (1): Not a group Paolo Giannozzi
• 2025/01/19 Re: [QE-users] Error when using "restart_mode = 'restart' " Paolo Giannozzi
• 2025/01/19 [QE-users] Error when using "restart_mode = 'restart' " jkmodi22
• 2025/01/18 [QE-users] Error in routine smallgk (1): Not a group jkmodi22
• 2025/01/17 [QE-users] [SPAM] Re: lfcpopt does not work correctly jibiaoli
• 2025/01/17 Re: [QE-users] a problem with spline_ps = true Paolo Giannozzi
• 2025/01/17 Re: [QE-users] a problem with spline_ps = true Magdalena Grochowska
• 2025/01/17 Re: [QE-users] a problem with spline_ps = true Paolo Giannozzi
• 2025/01/17 [QE-users] a problem with spline_ps = true Magdalena Grochowska
• 2025/01/17 [QE-users] Error in routine fill_fs_grid (30): wangzongyi via users
• 2025/01/14 Re: [QE-users] space_group and nbnd in nscf bands calculation Paolo Giannozzi
• 2025/01/14 Re: [QE-users] The routines to calculate Hubbard forces are very slow Timrov Iurii
• 2025/01/14 [QE-users] space_group and nbnd in nscf bands calculation Dr. Sheharyar Pervez Assistant Professor FES
• 2025/01/13 Re: [QE-users] Issues with SCAN functional for molecules Ivan Dario Arellano Ramirez
• 2025/01/13 [QE-users] Pseudopotential for SCAN functional Xin Zhong
• 2025/01/13 [QE-users] bfg cycle is stuck Taswar Iqbal via users
• 2025/01/11 Re: [QE-users] users Digest, Vol 210, Issue 8 Stefano Baroni
• 2025/01/11 Re: [QE-users] users Digest, Vol 210, Issue 8 Tse, John
• 2025/01/10 Re: [QE-users] [nscf calculation after restart_mode] 박기명
• 2025/01/10 [QE-users] [nscf calculation after restart_mode] 박기명
• 2025/01/08 Re: [QE-users] Issues with SCAN functional for molecules Fabrizio Ferrari Ruffino
• 2025/01/08 Re: [QE-users] [SPAM] lfcpopt does not work correctly Minoru Otani
• 2025/01/07 Re: [QE-users] Difference in DOS intensity in QE and Yambo Paolo Giannozzi
• 2025/01/06 [QE-users] [SPAM] lfcpopt does not work correctly jibiaoli
• 2025/01/06 Re: [QE-users] Wrong interpretation of atomic number and missing atoms in .cube file generated by pp.x utility Paolo Giannozzi
• 2025/01/06 [QE-users] Wrong interpretation of atomic number and missing atoms in .cube file generated by pp.x utility Ankush Bharti via users
• 2025/01/04 [QE-users] Issues with SCAN functional for molecules Ivan Dario Arellano Ramirez
• 2025/01/02 [QE-users] Why does the output data of plot_num=7 have negative values? Toshiharu Higuchi via users
• 2025/01/02 Re: [QE-users] Error in Calculating Projected DOS using SCAN Paolo Giannozzi
• 2024/12/31 [QE-users] Error in Calculating Projected DOS using SCAN AKHTAR, SAFF E AWAL (PGR) via users
• 2024/12/30 Re: [QE-users] vc-relax-Atomic wfc used for LDA+U Projector are NOT orthogonalized 李孝红
• 2024/12/30 Re: [QE-users] vc-relax-Atomic wfc used for LDA+U Projector are NOT orthogonalized Paolo Giannozzi
• 2024/12/29 [QE-users] vc-relax-Atomic wfc used for LDA+U Projector are NOT orthogonalized 李孝红
• 2024/12/29 [QE-users] [Spin direction] 박기명
• 2024/12/28 Re: [QE-users] [starting_magnetization] 박기명
• 2024/12/28 Re: [QE-users] [starting_magnetization] Paolo Giannozzi
• 2024/12/28 [QE-users] [starting_magnetization] 박기명
• 2024/12/27 Re: [QE-users] About bands.x error Chiara Cignarella via users
• 2024/12/27 [QE-users] Heterostructure -different crystal symmetry/lattice type Ms. Chandrika K. via users
• 2024/12/27 [QE-users] About bands.x error 이건우
• 2024/12/26 Re: [QE-users] Adsorption calculation using Quantum ESPRESSO Akhil g.nair via users
• 2024/12/23 Re: [QE-users] What is the difference between ILDOS and |psi|^2? Toshiharu Higuchi via users
• 2024/12/22 Re: [QE-users] Verification of Statements Regarding Quantum ESPRESSO and Wannier90 Antimo Marrazzo
• 2024/12/21 [QE-users] Verification of Statements Regarding Quantum ESPRESSO and Wannier90 wenusaras
• 2024/12/18 Re: [QE-users] What is the difference between ILDOS and |psi|^2? Toshiharu Higuchi via users
• 2024/12/18 Re: [QE-users] Compilation error with QE-7.3.1+hdf5 Mpayami via users
• 2024/12/18 Re: [QE-users] Compilation error with QE-7.3.1+hdf5 Vahid Askarpour
• 2024/12/18 Re: [QE-users] Compilation error with QE-7.3.1+hdf5 Paolo Giannozzi
• 2024/12/18 [QE-users] pw.x input - symmetry data, ibrav Fnukal Frantisek via users
• 2024/12/18 Re: [QE-users] What is the difference between ILDOS and |psi|^2? Toshiharu Higuchi via users
• 2024/12/18 Re: [QE-users] Compilation error with QE-7.3.1+hdf5 Pietro Davide Delugas
• 2024/12/18 Re: [QE-users] What is the difference between ILDOS and |psi|^2? Stefano de Gironcoli
• 2024/12/17 Re: [QE-users] What is the difference between ILDOS and |psi|^2? Toshiharu Higuchi via users
• 2024/12/17 Re: [QE-users] What is the difference between ILDOS and |psi|^2? Stefano Baroni
• 2024/12/17 Re: [QE-users] Compilation error with QE-7.3.1+hdf5 Mpayami via users
• 2024/12/17 [QE-users] What is the difference between ILDOS and |psi|^2? Toshiharu Higuchi via users
• 2024/12/17 [QE-users] Compilation error with QE-7.3.1+hdf5 Vahid Askarpour
• 2024/12/12 [QE-users] Relax calculation with meta-gga r2SCAN+rVV10 Claudio Antonio Perottoni
• 2024/12/12 [QE-users] ph problem 2400169
• 2024/12/12 Re: [QE-users] Atoms crossing boundary of cell during relaxation Giovanni Cantele
• 2024/12/11 [QE-users] Atoms crossing boundary of cell during relaxation Suraj P
• 2024/12/11 Re: [QE-users] 2D Band structure calculation attempt Simon Imanuel Rombauer
• 2024/12/11 Re: [QE-users] phonon problem Stefano Baroni
• 2024/12/11 Re: [QE-users] phonon problem Kazume NISHIDATE
• 2024/12/11 [QE-users] phonon problem 2400169
• 2024/12/10 Re: [QE-users] Bad dos data Pietro Davide Delugas
• 2024/12/10 [QE-users] Bad dos data Microsoft.com team
• 2024/12/09 Re: [QE-users] Excitation energies without osciallator strengths Timrov Iurii
• 2024/12/09 [QE-users] Excitation energies without osciallator strengths Erik Schultheis via users
• 2024/12/08 Re: [QE-users] Issue with Quantum ESPRESSO Home Page​​​​​​​ Pietro Davide Delugas
• 2024/12/07 [QE-users] Issue with Quantum ESPRESSO Home Page​​​​​​​ wenusaras
• 2024/12/06 [QE-users] Relax calculation with meta-gga r2SCAN+rVV10 Michele Re Fiorentin

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