July 2022 Archives by author

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Starting: Fri Jul 1 10:48:56 CEST 2022
Ending: Sat Jul 30 11:28:46 CEST 2022
Messages: 90

[QE-users] Wrong r2r4 value for Ba in the dft-d3 code Vahid Askarpour
[QE-users] [Webinar] Electronic structure including electron-phonon effects Dr.Mosab Banisalman
[QE-users] [Webinar] Electronic structure including electron-phonon effects Dr.Mosab Banisalman
[QE-users] Convergence problem in vc-relax Lorenzo Bastonero
[QE-users] Spin projections not working OR (more probable) really dumb misunderstanding Thomas Brumme
[QE-users] Spin projections not working OR (more probable) really dumb misunderstanding Thomas Brumme
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping Giovanni Cantele
[QE-users] Convergence issue with the mbJ TB09 functional Banhi Chatterjee
[QE-users] Convergence issue with the mbJ TB09 functional Banhi Chatterjee
[QE-users] cp.x ' Error in routine tqli (200): too many iterations' Massa Dario
[QE-users] electron phonon coupling Soumendra Kumar Das
[QE-users] electron phonon coupling Soumendra Kumar Das
[QE-users] users Digest, Vol 180, Issue 2 Soumendra Kumar Das
[QE-users] extrapolated charge too large during vc-relax leading to too many energy bands not converged error Pietro Davide Delugas
[QE-users] R: bands.x output incomplete Pietro Davide Delugas
[QE-users] R: Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response Pietro Davide Delugas
[QE-users] ipol is cartesian or crystal coordinates? Gerson J Ferreira
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping Lucian D. Filip
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping (Lucian D. Filip) Lucian D. Filip
[QE-users] extrapolated charge too large during vc-relax leading to too many energy bands not converged error Lucian D. Filip
[QE-users] Integrated oribtal resolved DOS does not equal number of electrons Paolo Giannozzi
[QE-users] Wrong r2r4 value for Ba in the dft-d3 code Paolo Giannozzi
[QE-users] QE 7.1 Problem with installation. Error while compiling gen_us_dj_gpu.f90 Paolo Giannozzi
[QE-users] A question about the use of lambda.x Paolo Giannozzi
[QE-users] Reference for LSDA as used in quantum espresso? Paolo Giannozzi
[QE-users] Convergence problem in vc-relax Ali Jaberi
[QE-users] Alpha_mix not resolving ph.x convergence failure Jessica Johnson
[QE-users] Proper scf input file for study SOC effect on magnetic insulator Nuttachai Jutong
[QE-users] Proper scf input file for study SOC effect on magnetic insulator Nuttachai Jutong
[QE-users] Proper scf input file for study SOC effect on magnetic insulator Nuttachai Jutong
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping Hsin-Yu Ko
[QE-users] [SPAM] DFT-D3 and HP code Sergey Lisenkov
[QE-users] WFs confined within the unit-cell EMANUEL ALBERTO MARTINEZ
[QE-users] Error in routine spinor Nurit Manukovsky
[QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response Nicola Marzari
[QE-users] [SPAM] DFT-D3 and HP code Giuseppe Mattioli
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping Giuseppe Mattioli
[QE-users] Medium-entropy materials Marcelo Falcão de Oliveira
[QE-users] About matdyn.x and choice of "selected lines" Marcelo Falcão de Oliveira
[QE-users] ldos for a sphere Aleksandra Oranskaia
[QE-users] Double x-coordinate in bands.x output Lorenzo Paulatto
[QE-users] problem of plottiing band structure based on hybrid HSE functional Lorenzo Paulatto
[QE-users] Medium-entropy materials Lorenzo Paulatto
[QE-users] Convergence issue with the mbJ TB09 functional Fabrizio Ferrari Ruffino
[QE-users] [SPAM] Fabrizio Ferrari Ruffino
[QE-users] [SPAM] Re: [SPAM] Fabrizio Ferrari Ruffino
[QE-users] R: bands.x output incomplete KENNETH SANDINAH
[QE-users] [SPAM] bands.x output incomplete SK
[QE-users] [SPAM] Re: bands.x output incomplete SK
[QE-users] Integrated oribtal resolved DOS does not equal number of electrons Schön, Carl-Friedrich
[QE-users] Integrated oribtal resolved DOS does not equal number of electrons Carl-Friedrich Schön
[QE-users] Double x-coordinate in bands.x output Carl-Friedrich Schön
[QE-users] problem compiling qe 7.1 Mahmoud Payami Shabestari
[QE-users] Reference for LSDA as used in quantum espresso? Daniel B. Straus
[QE-users] A question about the use of lambda.x Piotr Szkudlarek
[QE-users] A question about the use of lambda.x Piotr Szkudlarek
[QE-users] A question about the use of lambda.x Piotr Szkudlarek
[QE-users] Is it possible to "resurect" wrongly interupted phonon calculations? Piotr Szkudlarek
[QE-users] DFT+U+V: The HP code can be used only when lda_plus_u=.true. in qe-7.1 Iurii TIMROV
[QE-users] Proper scf input file for study SOC effect on magnetic insulator Iurii TIMROV
[QE-users] Proper scf input file for study SOC effect on magnetic insulator Iurii TIMROV
[QE-users] Convergence problem in vc-relax Iurii TIMROV
[QE-users] Linear response after HSE Iurii TIMROV
[QE-users] Reference for LSDA as used in quantum espresso? Iurii TIMROV
[QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response Iurii TIMROV
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping (Lucian D. Filip) Tiana, Davide
[QE-users] DFT+U+V: The HP code can be used only when lda_plus_u=.true. in qe-7.1 VNU Quang Tran
[QE-users] Linear response after HSE Corina Urdaniz
[QE-users] Linear response after HSE Corina Urdaniz
[QE-users] Medium-entropy materials Connor Wilson
[QE-users] difference in lattice parameters with USPP and ONCV NC PPs José Xavier
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping Liang Yihao
[QE-users] electron phonon coupling patrizio.graziosi at cnr.it
[QE-users] about matdyn.x and choice of "selected lines" patrizio.graziosi at cnr.it
[QE-users] About matdyn.x and choice of "selected lines" patrizio.graziosi at cnr.it
[QE-users] problem compiling qe 7.1 fede at fq.edu.uy
[QE-users] problem compiling qe 7.1 fede at fq.edu.uy
[QE-users] Medium-entropy materials sally issa
[QE-users] problem of plottiing band structure based on hybrid HSE functional jy95vowa
[QE-users] problem of plottiing band structure based on hybrid HSE functional jy95vowa
[QE-users] problem of plottiing band structure based on hybrid HSE functional jy95vowa
[QE-users] relax : convergence NOT achieved after 80 iterations: stopping pboulet
[QE-users] Regarding dos under the application of transverse electric field Satyasiban Dash ph19d005
[QE-users] QE 7.1 Problem with installation. Error while compiling gen_us_dj_gpu.f90 psmanyam
[QE-users] Is it possible to "resurect" wrongly interupted phonon calculations? pdelugas at sissa.it
[QE-users] [SPAM] Роман Воронков
[QE-users] [SPAM] Re: [SPAM] Роман Воронков
[QE-users] [SPAM] Sharp peaks at the band structure calculated with hybrid functional using the "fake" procedure Антон Андреевич Гавриков
[QE-users] some questions about cpmd in quantum espresso 杨庆
[QE-users] Piezoelectric stress coefficient 龚佳怡

Last message date: Sat Jul 30 11:28:46 CEST 2022
Archived on: Sat Jul 30 11:28:53 CEST 2022

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