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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
2023/04/27 [QE-users] BEEF: ensemble_energies keyword not recognised? Tom Demeyere via users
2023/04/27 [QE-users] Parallelization nscf calculation Francesco Delodovici
2023/04/27 Re: [QE-users] NEB: Atoms do not get relaxed Ari P Seitsonen
2023/04/27 Re: [QE-users] NEB: Atoms do not get relaxed Giuseppe Mattioli
2023/04/26 [QE-users] NEB: Atoms do not get relaxed Ari P Seitsonen
2023/04/26 [QE-users] how to assign occupations of every k-point in quantum espresso 时若晨
2023/04/26 Re: [QE-users] Graphene - Relativistic Calculations - Getting Generic Error Paolo Giannozzi
2023/04/25 Re: [QE-users] Dielectric function and absorption with Lanczos José Xavier via users
2023/04/25 Re: [QE-users] Dielectric function and absorption with Lanczos Iurii TIMROV via users
2023/04/25 Re: [QE-users] Convergence problems of NMC85% (LiNi_{0.85}Mn_{0.1}Co_{0.05}O_{2}) pboulet
2023/04/24 [QE-users] Graphene - Relativistic Calculations - Getting Generic Error Matthew Trippy via users
2023/04/24 [QE-users] [SPAM] Re: Dielectric function and absorption with Lanczos José Xavier via users
2023/04/24 [QE-users] Convergence problems of NMC85% (LiNi_{0.85}Mn_{0.1}Co_{0.05}O_{2}) Marcelo Albuquerque
2023/04/24 Re: [QE-users] divergence of chi in HP code Mpayami via users
2023/04/24 Re: [QE-users] [SPAM] Dielectric function and absorption with Lanczos Iurii TIMROV via users
2023/04/23 [QE-users] divergence of chi in HP code Mpayami via users
2023/04/23 Re: [QE-users] Fail to download pseudopotential for test-suite on Mac. Han-wen, Chang
2023/04/23 Re: [QE-users] Fail to download pseudopotential for test-suite on Mac. Husak Michal via users
2023/04/23 [QE-users] Fail to download pseudopotential for test-suite on Mac. 張瀚文
2023/04/21 [QE-users] [SPAM] Dielectric function and absorption with Lanczos José Xavier via users
2023/04/21 [QE-users] Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response Iurii TIMROV via users
2023/04/21 Re: [QE-users] QE-GPU and libxc compile error Fabrizio Ferrari Ruffino
2023/04/21 Re: [QE-users] QE-GPU and libxc compile error Michele Re Fiorentin
2023/04/21 Re: [QE-users] QE-GPU and libxc compile error Lorenzo Bastonero
2023/04/21 [QE-users] 回复: Effective mass and the unit of k jiale shen
2023/04/21 [QE-users] QE-GPU and libxc compile error Michele Re Fiorentin
2023/04/19 [QE-users] [Webinar] “AI-driven search for functional materials: symbolic inference in catalysis” Dr.Mosab Banisalman
2023/04/19 [QE-users] Lowdin charges - how to interpret? Xavier Xavier
2023/04/19 [QE-users] pw.x job stops before scf cycle fabrizio.silveri
2023/04/18 Re: [QE-users] Effective mass and the unit of k Ramesh Kumar Kamadurai via users
2023/04/18 [QE-users] Finding the optimal parallelization parameters Léon Luntadila Lufungula
2023/04/18 [QE-users] Band.x error anandkj21
2023/04/17 Re: [QE-users] QE-7.1 and ELPA version Paolo Giannozzi
2023/04/17 Re: [QE-users] QE-7.1 and ELPA version Alireza Ghasemi
2023/04/15 Re: [QE-users] PBE0 hybrid functional calculation: Error in routine vcut_init (1): non-orthorombic case untested Paolo Giannozzi
2023/04/15 [QE-users] PBE0 hybrid functional calculation: Error in routine vcut_init (1): non-orthorombic case untested jiale shen
2023/04/15 Re: [QE-users] QE-7.1 and ELPA version Paolo Giannozzi
2023/04/13 [QE-users] QE-7.1 and ELPA version Alireza Ghasemi
2023/04/13 [QE-users] NVT variable cell dynamics - protocol and issues Manuel Pérez Escribano
2023/04/12 Re: [QE-users] Query regarding ecutfock Lorenzo Bastonero
2023/04/12 Re: [QE-users] Query regarding ecutfock Arini Kar via users
2023/04/12 [QE-users] R: Fwd: error in routine check atoms(1) Pietro Davide Delugas
2023/04/12 Re: [QE-users] Query regarding ecutfock Lorenzo Bastonero
2023/04/12 [QE-users] R: Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP) Pietro Davide Delugas
2023/04/11 [QE-users] Fwd: error in routine check atoms(1) SPPU/05097P/2021 OYOMO BILL C
2023/04/11 [QE-users] Query regarding ecutfock Arini Kar via users
2023/04/11 Re: [QE-users] [Spam:]Re: About the calculation of dielectric function by using QE package Lorenzo Paulatto
2023/04/11 Re: [QE-users] About the calculation of dielectric function by using QE package Lorenzo Bastonero
2023/04/11 Re: [QE-users] About the calculation of dielectric function by using QE package Simon Imanuel Rombauer
2023/04/10 [QE-users] davcio error in phonon restart zhouchao via users
2023/04/10 [QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP) GOKHAN HASEKI
2023/04/09 [QE-users] RE : Phonon calculations BOUAFIA HAMZA
2023/04/09 Re: [QE-users] Phonon calculations Lorenzo Paulatto
2023/04/09 [QE-users] Phonon calculations BOUAFIA HAMZA
2023/04/07 Re: [QE-users] Problems with scf calculation in qe 7.1 and 7.2 Serhi via users
2023/04/07 Re: [QE-users] Problems with scf calculation in qe 7.1 and 7.2 Paolo Giannozzi
2023/04/07 [QE-users] Problems with scf calculation in qe 7.1 and 7.2 Serhi via users
2023/04/07 [QE-users] Confidential email from lplokijuhygt Serhi via users
2023/04/04 Re: [QE-users] About CI-NEB job and how to go on after that Tom Demeyere via users
2023/04/03 [QE-users] info about eigenvectors with matdyn patrizio . graziosi
2023/04/03 [QE-users] Coordinates of LDOS evaluation Brzoza, Bartosz
2023/04/02 Re: [QE-users] [SPAM] Calculate optical properties with Ultrasoft PPs Iurii TIMROV via users
2023/04/01 [QE-users] [SPAM] Calculate optical properties with Ultrasoft PPs José Xavier via users
2023/03/30 Re: [QE-users] MPI problem when parallelizing with more than 12 cores a.pramos
2023/03/30 Re: [QE-users] Fwd: Hydrogen atom pseudopotential files with q=1.5e and q=0.75e (PBE, USPP) Dominik Voigt
2023/03/30 Re: [QE-users] [EXTERNAL] Re: Problem installing QE in Windows 11 using Kali Linux Dumre, Bishal Babu B
2023/03/29 [QE-users] SCF gives different results for same input Mustafa Özgür
2023/03/28 Re: [QE-users] calculating formation energy Camelia Enzevaee
2023/03/28 [QE-users] calculating formation energy Camelia Enzevaee
2023/03/28 Re: [QE-users] Requesting Help With Spin Orbit Coupling Spin-Separated Bands Extraction Manocha, Pratyush
2023/03/27 [QE-users] The issue with calculating phonons is that it can be challenging zhouchao via users
2023/03/27 Re: [QE-users] Problem installing QE in Windows 11 using Kali Linux Lorenzo Paulatto
2023/03/27 Re: [QE-users] Problems in the compilation process Paolo Giannozzi
2023/03/27 Re: [QE-users] Problem installing QE in Windows 11 using Kali Linux Paolo Giannozzi
2023/03/27 [QE-users] Problem installing QE in Windows 11 using Kali Linux Dumre, Bishal Babu B
2023/03/27 Re: [QE-users] Dip in total energy during kpoint convergence testing Paolo Giannozzi
2023/03/27 Re: [QE-users] Problem in hp.x calculation Iurii TIMROV via users
2023/03/27 [QE-users] Wavefunction Overlap for Different K-space Samplings (repost) Nielsen, Carl Emil
2023/03/27 [QE-users] Dip in total energy during kpoint convergence testing marekgocnik via users
2023/03/26 Re: [QE-users] Error in bandstructure with TB09 Arini Kar via users
2023/03/25 [QE-users] Problems in the compilation process ANTONIO DOUGLAS DA SILVA GUEDES LIMA
2023/03/25 Re: [QE-users] Effective mass and the unit of k Kazume NISHIDATE
2023/03/24 [QE-users] 回复: Effective mass and the unit of k jiale shen
2023/03/24 [QE-users] PW code crashes for negative value Mpayami via users
2023/03/24 Re: [QE-users] Supercell and surface creation Zack Gainsforth
2023/03/24 [QE-users] Wavefunction Overlap for Different K-space Samplings Nielsen, Carl Emil
2023/03/24 Re: [QE-users] Clarification on the diffusion coefficient calculation Kazume NISHIDATE
2023/03/24 Re: [QE-users] Clarification on the diffusion coefficient calculation Mauro Francesco Sgroi
2023/03/24 Re: [QE-users] Clarification on the diffusion coefficient calculation Kazume NISHIDATE
2023/03/24 Re: [QE-users] Supercell and surface creation mkondrin
2023/03/24 [QE-users] Supercell and surface creation IBRAHIM SA'ADU
2023/03/24 [QE-users] Clarification on the diffusion coefficient calculation Mauro Francesco Sgroi
2023/03/24 Re: [QE-users] Effective mass and the unit of k Paolo Giannozzi
2023/03/24 Re: [QE-users] Compilation Issue Paolo Giannozzi
2023/03/23 Re: [QE-users] Compilation Issue Vinky Chow via users
2023/03/23 Re: [QE-users] Phonon dispersion - bad results around K point Blair, Erik
2023/03/23 [QE-users] Phonon dispersion - bad results around K point Blair, Erik
2023/03/23 [QE-users] Effective mass and the unit of k jiale shen
2023/03/23 Re: [QE-users] Requesting Help With Spin Orbit Coupling Spin-Separated Bands Extraction Luiz Gustavo Davanse da Silveira via users
2023/03/23 [QE-users] Problem in hp.x calculation Mint via users