November 2023 Archives by author

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Starting: Thu Nov 2 07:58:17 CET 2023
Ending: Thu Nov 30 16:39:12 CET 2023
Messages: 73

• [QE-users] Spin Orbit Coupling (SOC) calculation not converging   1806028 - Md. Nure- Alam-Dipu
• [QE-users] Spin Orbit Coupling (SOC) not converging   1806028 - Md. Nure- Alam-Dipu
• [QE-users] [QE-USER]-restart calculation from md to vc-md/relax and vice versa to maintain zero pressure in NVT MD calculation at fixed temperature using pw.x.   Jayraj Anadani
• [QE-users] the magnetic moment of iron adatom   imane BEZZAOUI
• [QE-users] users Digest, Vol 196, Issue 3   imane BEZZAOUI
• [QE-users] [Webinar] From Superconductors to Giant Planets: A Computational Window on Materials   Dr.Mosab Banisalman
• [QE-users] The Quantum ESPRESSO Foundation has a small favour to ask you   Stefano Baroni
• [QE-users] Error in routine bands (1): reading bands namelist   Michal Bennar
• [QE-users] Zak Phase (Z2 invariant) computation   Rameswar Bhattacharjee
• [QE-users] Zak Phase (Z2 invariant) computation   Rameswar Bhattacharjee
• [QE-users] Parity check of wave function   Rameswar Bhattacharjee
• [QE-users] NMR of Metallic Systems   Megan Burrill
• [QE-users] NMR of Metallic Systems   Megan Burrill
• [QE-users] NMR of Metallic Systems   Megan Burrill
• [QE-users] NMR of Metallic Systems   DAVIDE CERESOLI
• [QE-users] gipaw + hubbard + qe-7.2 question   Davide Ceresoli
• [QE-users] gipaw + hubbard + qe-7.2 question   Davide Ceresoli
• [QE-users] NMR of Metallic Systems   Davide Ceresoli
• [QE-users] Zak Phase (Z2 invariant) computation   Chiara Cignarella
• [QE-users] the units of the phonon linewidth   Chiara Cignarella
• [QE-users] Guidance Required for modelling CO2 adsorption on CaO   Saiyed Tasnim Md Fahim
• [QE-users] [QE-GPU] High GPU oversubscription detected   Paolo Giannozzi
• [QE-users] [QE-GPU] High GPU oversubscription detected   Paolo Giannozzi
• [QE-users] gipaw + hubbard + qe-7.2 question   Randall Hall
• [QE-users] gipaw + hubbard + qe-7.2 question   Randall Hall
• [QE-users] gipaw + hubbard + qe-7.2 question   Randall Hall
• [QE-users] In xspectra calculation by unpolarized light   Ishiyama,Takahisa_石山 貴久
• [QE-users] creating pseudopotentials   Ishiyama,Takahisa_石山 貴久
• [QE-users] hp.x and background orbitals   Timrov Iurii
• [QE-users] Problems related to Hubbard potential when vc-relax is calculated   Timrov Iurii
• [QE-users] hp.x and background orbitals   Chad Junkermeier
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   Ramesh Kumar Kamadurai
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   Ramesh Kumar Kamadurai
• [QE-users] the units of the phonon linewidth   Ramesh Kumar Kamadurai
• [QE-users] Example 8 of CPV   KRISHNENDU MUKHERJEE
• [QE-users] Ensuring Adiabaticity in Variable-Cell Car-Parrinello Molecular Dynamics Simulations   Vinay Maithani
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   Nicola Marzari
• [QE-users] Stiffness Matrix   Nicola Marzari
• [QE-users] NMR of Metallic Systems   Nicola Marzari
• [QE-users] Guidance Required for Stiffness Matrix Calculation from Stress and Strain Data   Mpayami
• [QE-users] Help !. Relaxation 2D material with assume_isolated="2D" no work   Wilber Muriel
• [QE-users] Guidance Required for Stiffness Matrix Calculation from Stress and Strain Data   Marcelo Falcão de Oliveira
• [QE-users] Guidance Required for Stiffness Matrix Calculation from Stress and Strain Data   Marcelo Falcão de Oliveira
• [QE-users] Generated cube files with environ software   Chame Pallavi
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   Lorenzo Paulatto
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   Lorenzo Paulatto
• [QE-users] Stiffness Matrix   Elham Rezaee
• [QE-users] Guidance Required for Stiffness Matrix Calculation from Stress and Strain Data   Elham Rezaee
• [QE-users] Stiffness, stress, strain tensor,   Elham Rezaee
• [QE-users] Guidance Required for Stiffness Matrix Calculation from Stress and Strain Data   Elham Rezaee
• [QE-users] Guidance Required for Stiffness Matrix Calculation from Stress and Strain Data   Elham Rezaee
• [QE-users] Fully relativistic pseudopotential for Er element   Alireza Shabani
• [QE-users] [QE-GPU] Running GPU calculations optimally   Anson Thomas
• [QE-users] gipaw + hubbard + qe-7.2 question   Iurii Timrov
• [QE-users] [QE-GPU] High GPU oversubscription detected   Yin-Ying Ting
• [QE-users] [QE-GPU] High GPU oversubscription detected   Yin-Ying Ting
• [QE-users] PROJWFC: pdos.out error using MBD   Corina Urdaniz
• [QE-users] users Digest, Vol 196, Issue 15   Dr.Aniruddh Bahadur Yadav
• [QE-users] how to extract the matrix elements from the valence bands to conduction bandsat the Brillouin zone center?   Yu, Jingjing
• [QE-users] Fwd: how to extract the matrix elements from the valence bands to conduction bandsat the Brillouin zone center?   Yu, Jingjing
• [QE-users] Error in routine seqopn after BFGS optimzation   Akhil g.nair
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   mkondrin at hppi.troitsk.ru
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] In Phonon Calculation for Raman Spectra, How to decide to use how many unit cells?   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] the units of the phonon linewidth   zhouchao
• [QE-users] vc-relax for ZrSnS3 - invalid np   Aleksandras Ševčik
• [QE-users] Problems related to Hubbard potential when vc-relax is calculated   임용식

Last message date: Thu Nov 30 16:39:12 CET 2023
Archived on: Thu Nov 30 16:39:08 CET 2023

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