January 2024 Archives by author

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Starting: Mon Jan 1 13:04:44 CET 2024
Ending: Wed Jan 31 17:11:50 CET 2024
Messages: 94

• [QE-users] Call for Nominations: Walter Kohn Prize   MARRAZZO ANTIMO
• [QE-users] Convergence of Binary alloy-reg   Gururaj Mundkur Acharya
• [QE-users] How to identify a phase transition temperature Tg under NVT ensemble, MD calculation using pw.x   Jayraj Anadani
• [QE-users] Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)   Oscar Baseggio
• [QE-users] wrong plane average electrostatic potential. !! Sorry, I forgot to upload the files in the first message.   Thomas Brumme
• [QE-users] Issues with vc-relax for a slab   Thomas Brumme
• [QE-users] ph.x   Giovanni Cantele
• [QE-users] wrong plane average electrostatic potential. !! Sorry, I forgot to upload the files in the first message.   Giovanni Cantele
• [QE-users] Broken kramers degeneracy in antiferromagnet   Davide Ceresoli
• [QE-users] The phonon mode eigenvector produced by matdyn.x   Chiara Cignarella
• [QE-users] The phonon mode eigenvector produced by matdyn.x   Chiara Cignarella
• [QE-users] Issues with vc-relax for a slab   Chiara Cignarella
• [QE-users] Issues with vc-relax for a slab   Chiara Cignarella
• [QE-users] Imaginary frequencies away from Gamma point SiO   Chiara Cignarella
• [QE-users] Broken kramers degeneracy in antiferromagnet   Francesco Delodovici
• [QE-users] Where can I get the QE-7.0 instalation package while the QE website is not working?   Pietro Davide Delugas
• [QE-users] forc conv thr not converging force components?   Tom Demeyere
• [QE-users] Imaginary frequencies away from Gamma point SiO   Cristian Mauricio Rebolledo Espinoza
• [QE-users] Where can I get the QE-7.0 instalation package while the QE website is not working?   Paolo Giannozzi
• [QE-users] GPU and CPU jobs   Paolo Giannozzi
• [QE-users] Phonon calculation does not converge   Paolo Giannozzi
• [QE-users] Target and calculated pressures   Tarek Hammad
• [QE-users] Target and calculated pressures   Tarek Hammad
• [QE-users] problem with inversion   Tarek Hammad
• [QE-users] k-path for thermo_pw   Tarek Hammad
• [QE-users] Thermodynamics with DFT+U   Timrov Iurii
• [QE-users] Thermodynamics with DFT+U   Timrov Iurii
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Timrov Iurii
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Timrov Iurii
• [QE-users] Hubbard U Parameters in pmw.x   Timrov Iurii
• [QE-users] Convergence problem with hydroxide   RABONE Jeremy
• [QE-users] Phonon calculation does not converge   Nicola Marzari
• [QE-users] Convergence problem with hydroxide   Giuseppe Mattioli
• [QE-users] forc conv thr not converging force components?   Adam Michalchuk
• [QE-users] Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)   Juliana Maria Abreu Da Silva Morbec
• [QE-users] Fw: Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)   Juliana Maria Abreu Da Silva Morbec
• [QE-users] Best Hubbard occupation on the fly   Mpayami
• [QE-users] "CALL forces()" for PAW potential Does not work   Mpayami
• [QE-users] Target and calculated pressures   Mpayami
• [QE-users] Target and calculated pressures   Mpayami
• [QE-users] "CALL forces()" for PAW potential Does not work   Mpayami
• [QE-users] Hubbard U Parameters in pmw.x   Mpayami
• [QE-users] wrong plane average electrostatic potential   Wilber Muriel
• [QE-users] wrong plane average electrostatic potential. !! Sorry, I forgot to upload the files in the first message.   Wilber Muriel
• [QE-users] Issues with vc-relax for a slab   Anupriya Nyayban
• [QE-users] Issues with vc-relax for a slab   Anupriya Nyayban
• [QE-users] Issues with vc-relax for a slab   Anupriya Nyayban
• [QE-users] Issues with vc-relax for a slab   Anupriya Nyayban
• [QE-users] Thermodynamics with DFT+U   EDUARDO ARIEL MENENDEZ PROUPIN
• [QE-users] Thermodynamics with DFT+U   EDUARDO ARIEL MENENDEZ PROUPIN
• [QE-users] [Webinar] The many roles of computational assistance and AI in the discovery of new molecules   Minkyu Park
• [QE-users] Calculating Dielectric Constant   Lorenzo Paulatto
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Lorenzo Paulatto
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Lorenzo Paulatto
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Lorenzo Paulatto
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Lorenzo Paulatto
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Lorenzo Paulatto
• [QE-users] Phonon calculation does not converge   Lorenzo Paulatto
• [QE-users] The phonon mode eigenvector produced by matdyn.x   Elio Physics
• [QE-users] The phonon mode eigenvector produced by matdyn.x   Elio Physics
• [QE-users] Phonon calculation does not converge   Chirantan Pramanik
• [QE-users] Phonon calculation does not converge   Chirantan Pramanik
• [QE-users] Issues with vc-relax for a slab   Chirantan Pramanik
• [QE-users] Phonon calculation does not converge   Chirantan Pramanik
• [QE-users] Calculating Dielectric Constant   Elham Rezaee
• [QE-users] ph.x   Elham Rezaee
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Simon Imanuel Rombauer
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Simon Imanuel Rombauer
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Simon Imanuel Rombauer
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Simon Imanuel Rombauer
• [QE-users] hp.x Error in routine cdiaghg (270): problems computing cholesky   Simon Imanuel Rombauer
• [QE-users] NEB calculation error   Ms.Shruthi A S
• [QE-users] Error in Boltztrap code, while performing Spin Orbit Coupling (SOC) calculation   Sadhana Matth SVNIT
• [QE-users] Error in Boltztrap code, while performing Spin Orbit Coupling (SOC) calculation   Sadhana Matth SVNIT
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Md. Jahid Hasan Sagor
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Md. Jahid Hasan Sagor
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Md. Jahid Hasan Sagor
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Md. Jahid Hasan Sagor
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Md. Jahid Hasan Sagor
• [QE-users] Requested some guidelines in First-principles molecular dynamics   Md. Jahid Hasan Sagor
• [QE-users] Where can I get the QE-7.0 instalation package while the QE website is not working?   Piotr Szkudlarek
• [QE-users] Where can I get the QE-7.0 instalation package while the QE website is not working?   Piotr Szkudlarek
• [QE-users] Hubbard U Parameters in pmw.x   Yin-Ying Ting
• [QE-users] Hubbard U Parameters in pmw.x   Yin-Ying Ting
• [QE-users] Difference in tot_magnetization and abs_magnetization   Akhil g.nair
• [QE-users] star1s pseudopotentitial   Akhil g.nair
• [QE-users] Bond population calculation   Akhil g.nair
• [QE-users] Plotting molecular orbital   Akhil g.nair
• [QE-users] Re :Re: Inquiry Regarding Crystal Structure Discrepancy in Quantum Espresso   houssam eddine hailouf
• [QE-users] Inquiry on Orthogonalizing Wavefunctions with PAW/Ultrasoft Pseudopotentials   wuk at mail.ustc.edu.cn
• [QE-users] Regarding Kband number in plot num=7   Satyasiban Dash ph19d005
• [QE-users] [SPAM] alpha2f.x problem   526587466 at qq.com
• [QE-users] [SPAM] GPU and CPU jobs   526587466 at qq.com
• [QE-users] liquid water AIMD simulation using SCAN   전영인

Last message date: Wed Jan 31 17:11:50 CET 2024
Archived on: Wed Jan 31 17:11:32 CET 2024

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