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2023/06/26 [QE-users] maxstep increasing for phonon convergence Esmaeili via users
2023/06/25 [QE-users] vdw function with e-ph? zhouchao via users
2023/06/25 Re: [QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere) Paolo Giannozzi
2023/06/24 [QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere) Robinson Juma Musembi
2023/06/23 [QE-users] k-point parallelisation using ESM-RISM: seg fault Tom Demeyere via users
2023/06/23 [QE-users] HSE functional Matchol error Zimmi Singh
2023/06/23 [QE-users] Problem finding global minimum with relax FRANCESCO GIANNICI
2023/06/22 [QE-users] SCF convergence Problem Rameswar Bhattacharjee
2023/06/21 Re: [QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3 Lingzhi ZHANG
2023/06/21 Re: [QE-users] Error Message while performing SCF.in Cignarella Chiara via users
2023/06/21 Re: [QE-users] Error Message while performing SCF.in Md. Jahid Hasan Sagor
2023/06/21 Re: [QE-users] Error Message while performing SCF.in Md. Jahid Hasan Sagor
2023/06/21 Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds Christoph Wolf
2023/06/21 Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds Paolo Giannozzi
2023/06/21 Re: [QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3 Paolo Giannozzi
2023/06/21 Re: [QE-users] Error Message while performing SCF.in Paolo Giannozzi
2023/06/21 Re: [QE-users] Error Message while performing SCF.in Paolo Giannozzi
2023/06/21 Re: [QE-users] Error Message while performing SCF.in Cignarella Chiara via users
2023/06/20 [QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3 Lingzhi ZHANG
2023/06/20 [QE-users] Error Message while performing SCF.in Md. Jahid Hasan Sagor
2023/06/20 [QE-users] 2D correction for using pw.x with Environ Rabet, Sahar
2023/06/19 Re: [QE-users] Using SCAN functionals with QE 7.2 Paolo Giannozzi
2023/06/19 Re: [QE-users] Using SCAN functionals with QE 7.2 Monteiro Campos de Melo, P.M. (Pedro) via users
2023/06/19 Re: [QE-users] Using SCAN functionals with QE 7.2 Fabrizio Ferrari Ruffino
2023/06/19 [QE-users] Using SCAN functionals with QE 7.2 Monteiro Campos de Melo, P.M. (Pedro) via users
2023/06/18 [QE-users] [Webinar] Large-scale machine-learning assisted discovery and characterization of materials Dr.Mosab Banisalman
2023/06/18 Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds Timrov Iurii via users
2023/06/18 Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds Christoph Wolf
2023/06/18 Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds Timrov Iurii via users
2023/06/17 [QE-users] Projwfc.x: Mismatch between the requested and available manifolds Christoph Wolf
2023/06/16 [QE-users] sorry for the n! problem with the SCAN functional zhouchao via users
2023/06/16 [QE-users] Regarding charge density difference calculation Satyasiban Dash ph19d005
2023/06/16 [QE-users] error in davcio d3q.x Elio Physics
2023/06/16 Re: [QE-users] Confusion regarding the optimization of a tetragonal structure with pressure Anupriya Nyayban
2023/06/16 Re: [QE-users] A question on the volume_factor flag in d3_tk.x Elio Physics
2023/06/16 Re: [QE-users] A question on the volume_factor flag in d3_tk.x Lorenzo Paulatto
2023/06/15 Re: [QE-users] A question on the volume_factor flag in d3_tk.x Elio Physics
2023/06/15 Re: [QE-users] A question on the volume_factor flag in d3_tk.x Lorenzo Paulatto
2023/06/15 [QE-users] A question on the volume_factor flag in d3_tk.x Elio Physics
2023/06/15 [QE-users] A question on the volume_factor in the d3_tk.x code Elio Physics
2023/06/14 Re: [QE-users] About the calculation of dielectric function by using QE package Md. Jahid Hasan Sagor
2023/06/14 Re: [QE-users] vc-relax with PBE0 or HSE is not converging Paolo Giannozzi
2023/06/14 Re: [QE-users] vc-relax with PBE0 or HSE is not converging Giuseppe Mattioli
2023/06/14 Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x Elio Physics
2023/06/14 Re: [QE-users] ATOMIC_POSITIONS input Jayraj Anadani
2023/06/14 [QE-users] ATOMIC_POSITIONS input KRISHNENDU MUKHERJEE
2023/06/12 [QE-users] Confusion regarding the optimization of a tetragonal structure with pressure Anupriya Nyayban
2023/06/12 [QE-users] Dielectric function at temperature greater than 0 K Md. Jahid Hasan Sagor
2023/06/12 Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x Lorenzo Paulatto
2023/06/09 Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x Elio Physics
2023/06/09 Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x Paolo Giannozzi
2023/06/09 Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x Elio Physics
2023/06/08 [QE-users] error executing the d3_q2r.x Elio Physics
2023/06/08 [QE-users] scf convergence Ramon Sampaio Ferreira
2023/06/08 Re: [QE-users] asr in dynmat.x Juliana Maria Abreu Da Silva Morbec
2023/06/08 Re: [QE-users] asr in dynmat.x Lorenzo Bastonero
2023/06/08 Re: [QE-users] asr in dynmat.x Paolo Giannozzi
2023/06/07 Re: [QE-users] asr in dynmat.x Juliana Maria Abreu Da Silva Morbec
2023/06/07 [QE-users] Error encountered during Hubbard_U optimization TERSOO ATSUE
2023/06/06 Re: [QE-users] asr in dynmat.x Lorenzo Bastonero
2023/06/06 [QE-users] asr in dynmat.x Juliana Maria Abreu Da Silva Morbec
2023/06/05 Re: [QE-users] Effect of nbnd on vc-relax Giovanni Cantele
2023/06/04 [QE-users] Andersen thermostat in QE: random collisions or not? 徐翰
2023/06/04 Re: [QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions David Yao ANSI via users
2023/06/04 Re: [QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions David Yao ANSI via users
2023/06/04 Re: [QE-users] Problem with convergence Iurii TIMROV via users
2023/06/03 [QE-users] Effect of nbnd on vc-relax Jing Lian Ng
2023/06/03 Re: [QE-users] Problem with convergence imane BEZZAOUI
2023/06/03 Re: [QE-users] [SPAM] Calculation of static dielectric tensor Lorenzo Paulatto
2023/06/03 [QE-users] [SPAM] static dielectric tensor Anton Filanovich
2023/06/03 [QE-users] [SPAM] static dielectric tensor Anton Filanovich
2023/06/02 [QE-users] [SPAM] Calculation of static dielectric tensor Филанович Антон
2023/06/02 Re: [QE-users] Problem with convergence Iurii TIMROV via users
2023/06/02 Re: [QE-users] Problem with convergence imane BEZZAOUI
2023/06/02 [QE-users] Problem with convergence imane BEZZAOUI
2023/06/01 [QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions David Yao ANSI via users
2023/06/01 Re: [QE-users] r2SCAN Jibiao Li via users
2023/06/01 [QE-users] r2SCAN H. BOUAFIA
2023/06/01 Re: [QE-users] Error when make epw with nvhpc compiler Paolo Giannozzi
2023/06/01 Re: [QE-users] Error when make epw with nvhpc compiler Abiodun Odusanya
2023/06/01 Re: [QE-users] Error when make epw with nvhpc compiler Paolo Giannozzi
2023/06/01 [QE-users] Error when make epw with nvhpc compiler Siwakorn Sukharom
2023/06/01 Re: [QE-users] Electron-phonon - tetra_example - alpha2f.x problem سيدمحمد صندوقچي via users
2023/05/31 Re: [QE-users] Electron-phonon - tetra_example - alpha2f.x problem ukawamura u
2023/05/31 Re: [QE-users] Regarding Charge density difference Satyasiban Dash ph19d005
2023/05/31 Re: [QE-users] Regarding Charge density difference Giovanni Cantele
2023/05/31 Re: [QE-users] Regarding Charge density difference Satyasiban Dash ph19d005
2023/05/31 [QE-users] Ph.x with error message "Error in routine checkallsym (2): not orthogonal operation" [email protected]
2023/05/30 Re: [QE-users] Regarding Charge density difference Giovanni Cantele
2023/05/30 [QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3) José Xavier via users
2023/05/30 [QE-users] Regarding Charge density difference Satyasiban Dash ph19d005
2023/05/30 [QE-users] Electron-phonon - tetra_example - alpha2f.x problem سيدمحمد صندوقچي via users
2023/05/29 [QE-users] How to run QE on limited number of processsors of a single node? Piotr Szkudlarek
2023/05/29 Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE Niccolò Damian
2023/05/28 Re: [QE-users] Doubt about Hands-on QE summer school TD-DFT exercise (day 3) Iurii TIMROV via users
2023/05/27 [QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3) José Xavier via users
2023/05/27 Re: [QE-users] Doubt about Hands-on QE summer school TD-DFT exercise (day 3) Iurii TIMROV via users
2023/05/26 [QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3) José Xavier via users
2023/05/25 Re: [QE-users] no geometry information at the end Giuseppe Mattioli
2023/05/25 Re: [QE-users] no geometry information at the end Paolo Giannozzi
2023/05/25 Re: [QE-users] no geometry information at the end dlduran
2023/05/25 Re: [QE-users] no geometry information at the end Giuseppe Mattioli
2023/05/25 [QE-users] no geometry information at the end dlduran
2023/05/24 [QE-users] R: R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Pietro Davide Delugas
2023/05/24 Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Siwakorn Sukharom
2023/05/24 Re: [QE-users] users Digest, Vol 190, Issue 21 Paolo Giannozzi
2023/05/24 Re: [QE-users] users Digest, Vol 190, Issue 21 Ivan Carnimeo
2023/05/23 Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Paolo Giannozzi
2023/05/23 Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Siwakorn Sukharom
2023/05/23 [QE-users] Deadline for applications is extended for the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response Iurii TIMROV via users
2023/05/23 Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Paolo Giannozzi
2023/05/23 Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Siwakorn Sukharom
2023/05/22 [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Pietro Davide Delugas
2023/05/22 Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Siwakorn Sukharom
2023/05/22 Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Paolo Giannozzi
2023/05/22 [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Siwakorn Sukharom
2023/05/22 Re: [QE-users] HP code: Noncollinear SOC Iurii TIMROV via users
2023/05/21 Re: [QE-users] Error when configuring Quantum Espresso with LibXC Paolo Giannozzi
2023/05/21 Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE Paolo Giannozzi
2023/05/21 [QE-users] [DFT+U] HP code: Noncollinear SOC Ritwik Das
2023/05/21 Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE Niccolò Damian
2023/05/20 [QE-users] Error when configuring Quantum Espresso with LibXC Jing Lian Ng
2023/05/20 Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE Paolo Giannozzi
2023/05/20 Re: [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3) Iurii TIMROV via users
2023/05/20 [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE Niccolò Damian
2023/05/19 Re: [QE-users] QE 6.5 versus QE 7.2 Paolo Giannozzi
2023/05/19 [QE-users] QE 6.5 versus QE 7.2 Giovanni Cantele
2023/05/18 [QE-users] problem in parallel exexution of example07 of HP Mpayami via users
2023/05/18 [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3) José Xavier via users
2023/05/18 [QE-users] Wavefunction plot in pp.x David Yao ANSI via users
2023/05/18 Re: [QE-users] the 2D structure wrong wrong total_weight Zimmi Singh
2023/05/17 [QE-users] Optimal Smearing Energy for Electronic Structure Calculations David Yao ANSI via users
2023/05/17 [QE-users] Issues SCAN functional for Cu slab Michele Giovanni Bianchi
2023/05/17 [QE-users] Fat ("projected") phonon dispersion bands with Quantum Espresso? Nagy Gergely Norbert
2023/05/16 [QE-users] how to achieve quench or annealing using CP package of QE ? Yue Qiang
2023/05/16 [QE-users] the 2D structure wrong wrong total_weight zhouchao via users
2023/05/15 Re: [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged Paolo Giannozzi
2023/05/15 Re: [QE-users] pwtk scripting wenusaras
2023/05/15 Re: [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged Dipta Suryya Mahanta via users
2023/05/15 Re: [QE-users] pwtk scripting Tone Kokalj
2023/05/15 [QE-users] pwtk scripting wenusaras
2023/05/13 Re: [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged Paolo Giannozzi
2023/05/12 [QE-users] What is the correct method to calculate ELF? Anson Thomas
2023/05/12 [QE-users] c_bands: N eigenvalues not converged Dipta Suryya Mahanta via users
2023/05/12 Re: [QE-users] Why I get the message forces for this U_projection_type not implemented ? Iurii TIMROV via users
2023/05/12 [QE-users] TPSS pseudo files for metals are highly required Jibiao Li via users
2023/05/12 Re: [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented Lorenzo Paulatto
2023/05/12 Re: [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented Lorenzo Paulatto
2023/05/11 Re: [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented Karkee, Rijan via users
2023/05/11 Re: [QE-users] Scf after relax Giovanni Cantele
2023/05/11 [QE-users] Scf after relax Ricardo Cecconello
2023/05/11 Re: [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented Lorenzo Paulatto
2023/05/11 Re: [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented Lorenzo Bastonero
2023/05/11 Re: [QE-users] [EXTERNAL] Re: The phonon code with Raman and Hubbard U is not implemented Karkee, Rijan via users
2023/05/11 Re: [QE-users] Error in routine read_pp_semilocal with FHI converted UPF Paolo Giannozzi
2023/05/11 Re: [QE-users] Error while calculating STM image and from pp.x Paolo Giannozzi
2023/05/11 Re: [QE-users] The phonon code with Raman and Hubbard U is not implemented Lorenzo Bastonero
2023/05/10 [QE-users] The phonon code with Raman and Hubbard U is not implemented Karkee, Rijan via users
2023/05/10 Re: [QE-users] [EXTERNAL] Re: The phonon code for this Hubbard projectors type is not implemented Karkee, Rijan via users
2023/05/10 Re: [QE-users] The phonon code for this Hubbard projectors type is not implemented Lorenzo Bastonero
2023/05/10 [QE-users] The phonon code for this Hubbard projectors type is not implemented Karkee, Rijan via users
2023/05/10 [QE-users] Error while calculating STM image and from pp.x sunilch.cstaff via users
2023/05/10 Re: [QE-users] SCAN pseudopotential files are highly required Holzwarth, Natalie
2023/05/10 [QE-users] SCAN pseudopotential files are highly required Jibiao Li via users
2023/05/10 Re: [QE-users] Error in routine read_pp_semilocal with FHI converted UPF Paolo Giannozzi
2023/05/10 Re: [QE-users] Error in routine read_pp_semilocal with FHI converted UPF Jibiao Li via users
2023/05/10 Re: [QE-users] Error in routine read_pp_semilocal with FHI converted UPF Paolo Giannozzi
2023/05/10 Re: [QE-users] Error in routine read_pp_semilocal with FHI converted UPF Paolo Giannozzi
2023/05/10 [QE-users] R: Convert pseudo from fhi to upf format Pietro Davide Delugas
2023/05/09 [QE-users] Error in routine read_pp_semilocal with FHI converted UPF Jibiao Li via users
2023/05/09 [QE-users] Convert pseudo from fhi to upf format Jibiao Li via users
2023/05/09 [QE-users] support for dynmat output patrizio . graziosi
2023/05/08 Re: [QE-users] "q-mesh breaks symmetry" problème. Pietro Davide Delugas
2023/05/08 [QE-users] "q-mesh breaks symmetry" problème. Pierre Linères via users
2023/05/08 [QE-users] How to change temperature when doing CPMD ? Yue Qiang
2023/05/08 [QE-users] [Pw_forum] EPW Superconductivity 李雪洁
2023/05/07 Re: [QE-users] increasing precision of band energies Paolo Giannozzi
2023/05/07 Re: [QE-users] Is there any list for DFT+U functions availability? Iurii TIMROV via users
2023/05/06 [QE-users] increasing precision of band energies agaur
2023/05/06 [QE-users] Is there any list for DFT+U functions availability? Kefan Chen
2023/05/05 Re: [QE-users] Regarding upgradation of Quantum-esspresso. Giuseppe Mattioli
2023/05/05 Re: [QE-users] Regarding upgradation of Quantum-esspresso. chethanv Research Scholar
2023/05/05 Re: [QE-users] Regarding upgradation of Quantum-esspresso. Giuseppe Mattioli
2023/05/05 Re: [QE-users] Regarding upgradation of Quantum-esspresso. chethanv Research Scholar
2023/05/05 Re: [QE-users] Regarding upgradation of Quantum-esspresso. Giuseppe Mattioli
2023/05/05 [QE-users] Regarding upgradation of Quantum-esspresso. chethanv Research Scholar
2023/05/05 Re: [QE-users] QE7.2 with oneAPI IMPI and MKL+SCALAPACK [email protected]
2023/05/03 [QE-users] QE7.2 with oneAPI IMPI and MKL+SCALAPACK Anderson, Sean
2023/05/02 [QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP) GOKHAN HASEKI
2023/05/02 Re: [QE-users] Error in routine open_buffer (2) Paolo Giannozzi
2023/05/01 [QE-users] Error in routine open_buffer (2) Devin Thrush
2023/05/01 [QE-users] Projected band structure using HSE06 hybrid functional Gusthavo Miranda
2023/04/28 Re: [QE-users] QE 7.2: performance degradation for isolated systems? Tom Demeyere via users
2023/04/28 Re: [QE-users] QE 7.2: performance degradation for isolated systems? Paolo Giannozzi
2023/04/28 [QE-users] QE 7.2: performance degradation for isolated systems? Tom Demeyere via users
2023/04/27 [QE-users] onvert SDF file to xxx.scf.in teltim via users
2023/04/27 Re: [QE-users] NEB: Atoms do not get relaxed Giuseppe Mattioli
2023/04/27 Re: [QE-users] NEB: Atoms do not get relaxed Ari P Seitsonen
2023/04/27 Re: [QE-users] Parallelization nscf calculation Paolo Giannozzi
2023/04/27 Re: [QE-users] BEEF: ensemble_energies keyword not recognised? Paolo Giannozzi