April 2024 Archives by subject

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Starting: Mon Apr 1 03:46:03 CEST 2024
Ending: Tue Apr 30 10:46:26 CEST 2024
Messages: 73

• [QE-users] [hp.x symmetry not found]   hugo ramos
• [QE-users] [QE-GPU] Significant Slowdown in GPU Phonon Calculation Preparation   Yin-Ying Ting
• [QE-users] [SPAM] About errors in calculating phonon spectra in the new version of Hubbard+U   3301829239
• [QE-users] [SPAM] About errors in calculating phonon spectra in the new version of Hubbard+U   Paolo Giannozzi
• [QE-users] [SPAM] about relax-structure issue   孙昊冉
• [QE-users] [SPAM] about relax-structure issue   Paolo Giannozzi
• [QE-users] [SPAM] error with parallel execution   孟令时
• [QE-users] [SPAM] GPU for QE   Vor st
• [QE-users] [SPAM] outRelax001.txt   Vor st
• [QE-users] [SPAM] outRelax001.txt   Paolo Giannozzi
• [QE-users] [SPAM] outRelax001.txt   Paolo Giannozzi
• [QE-users] [SPAM] Re: nscf calculation error   Максим Кузнецов
• [QE-users] Assistance Requested: Generating Atomic Positions in Crystal Structures   MOSES NTSIFUL
• [QE-users] Assistance Requested: Generating Atomic Positions in Crystal Structures   Kazume NISHIDATE
• [QE-users] A strange error when using GPU accelerated ph.x   lq1998
• [QE-users] A strange error when using GPU accelerated ph.x   Paolo Giannozzi
• [QE-users] Best Hubbard occupation on the fly   Mpayami
• [QE-users] calculated number of k_points calculated different than instructed in the nscf input file   wenusaras
• [QE-users] calculated number of k_points calculated different than instructed in the nscf input file   Paolo Giannozzi
• [QE-users] Creating a 2 × 2 × 3 Surface of Crystal Structure with 10 Å Vacuum in Burai or XCrysDen   MOSES NTSIFUL
• [QE-users] Creating a 2 × 2 × 3 Surface of Crystal Structure with 10 Å Vacuum in Burai or XCrysDen   Giovanni Cantele
• [QE-users] Creating a 2 × 2 × 3 Surface of Crystal Structure with 10 Å Vacuum in Burai or XCrysDen   sogenyi at student.eaifr.org
• [QE-users] Difference between data file saved inside outdir   Paolo Giannozzi
• [QE-users] Effect of magnetic order on dynamic stability   Zimmi Singh
• [QE-users] Effect of magnetic order on dynamic stability   Nicola Marzari
• [QE-users] ESM model with vacuum/metal boundary condition (bc3)   Ghosh, Prasenjit
• [QE-users] ESM model with vacuum/metal boundary condition (bc3)   Minoru Otani
• [QE-users] Fail in drawing fat band   wangzongyi at mail.ustc.edu.cn
• [QE-users] How to appropriately relax or vc-relax structure under strain respecting Poisson's ratio   Karkee, Rijan
• [QE-users] How to calculate dynamical matrices along the high symmetry path without using any crystal symmetry   Shneha Biswas
• [QE-users] Inability of QE compiled for GPUs to read SG15 ONCV Potentials   Soham Ghosh
• [QE-users] Inability of QE compiled for GPUs to read SG15 ONCV Potentials   Paolo Giannozzi
• [QE-users] Inquiry on Hubbard U Values for monolayer vs bulk   Zimmi Singh
• [QE-users] Inquiry on Hubbard U Values for monolayer vs bulk   Nicola Marzari
• [QE-users] Inquiry on Suitable Q-Points for Phonon-Dispersion Calculation in Triclinic System   Elham Rezaee
• [QE-users] Install failure for w90   Manish Kumar
• [QE-users] Install failure for w90   Tomoya Naito
• [QE-users] Issue Compiling QE 7.3 on MacOS 14.4.1   Robert Fleming
• [QE-users] Issue Compiling QE 7.3 on MacOS 14.4.1   Paolo Giannozzi
• [QE-users] Issue Compiling QE 7.3 on MacOS 14.4.1   Paolo Giannozzi
• [QE-users] lambda.x: at line 61 of file lambda.f90   Dawid Ciszewski
• [QE-users] lambda.x: at line 61 of file lambda.f90   Dawid Ciszewski
• [QE-users] lambda.x: at line 61 of file lambda.f90   Paolo Giannozzi
• [QE-users] libgomp: TODO error while running pw.x   Bhargab Kakati
• [QE-users] libgomp: TODO error while running pw.x   Paolo Giannozzi
• [QE-users] MAE calculations using QE6.7   Yashika Gautam
• [QE-users] MatSQ Upcoming Webinar | Tue. 30th of April: 2-3 PM CEST | How is materials modeling working for the industry?   Gabriele Mogni
• [QE-users] mutlicore usage for GPU.   Bhargab Kakati
• [QE-users] mutlicore usage for GPU.   Paolo Giannozzi
• [QE-users] NON CONVERGENCE OF TRANSPORT CALCULATIONS   Abiodun Odusanya
• [QE-users] NON CONVERGENCE OF TRANSPORT CALCULATIONS   Abiodun Odusanya
• [QE-users] Output of post-processing pp.x for 1D plot of the pseudo charge density from individual orbitals   Marin Luca
• [QE-users] Output of post-processing pp.x for 1D plot of the pseudo charge density from individual orbitals   Paolo Giannozzi
• [QE-users] Output of post-processing pp.x for 1D plot of the pseudo charge density from individual orbitals   Marin Luca
• [QE-users] Phonon dispersion for graphene   Md. Jahid Hasan Sagor
• [QE-users] Problem related to initiate EPW   胡大展
• [QE-users] Problem related to initiate EPW   Paolo Giannozzi
• [QE-users] QE 7.2 error required attribute rank not found   Sol Loja
• [QE-users] QE 7.2 error required attribute rank not found   Paolo Giannozzi
• [QE-users] QE as a library   Alireza Ghasemi
• [QE-users] QE as a library   Paolo Giannozzi
• [QE-users] QE as a library   Lorenzo Paulatto
• [QE-users] QE GPU ORTE_ERROR problem   Sitangshu Bhattacharya
• [QE-users] QE GPU ORTE_ERROR problem   Sitangshu Bhattacharya
• [QE-users] QE GPU ORTE_ERROR problem   Paolo Giannozzi
• [QE-users] Quantum espresso fails to run with La any psedupotential‏   Vahid Askarpour
• [QE-users] Quantum espresso fails to run with La any psedupotential‏   Gal Cohen
• [QE-users] Quantum espresso fails to run with La any psedupotential‏   Gal Cohen
• [QE-users] Query regarding determining contribution of selected wavefunction to charge distribution   Arini Kar
• [QE-users] Release of PWTK-3.0 & 1st Announcement of the Online PWTK Tutorial (20–24 May)   Tone Kokalj
• [QE-users] Request for Assistance: Positioning Metallic Element(Na) at Tetrahedral Interstitial Site (TIS) in Ag2O BCC Structure   MOSES NTSIFUL
• [QE-users] Restart in hybrid HSE calculation   aleksandr.doma at yahoo.com
• [QE-users] Restart in hybrid HSE calculation   Paolo Giannozzi

Last message date: Tue Apr 30 10:46:26 CEST 2024
Archived on: Tue Apr 30 11:19:41 CEST 2024

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