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

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