April 2021 Archives by date

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Starting: Thu Apr 1 02:27:35 CEST 2021
Ending: Fri Apr 30 16:57:09 CEST 2021
Messages: 149

[QE-users] U calculation for Cd based material Sergey Lisenkov
[QE-users] Failed install of executables on Mac Dario Massa
[QE-users] Failed install of executables on Mac Arka Prava Sarkar
[QE-users] Failed install of executables on Mac Dario Massa
[QE-users] Failed install of executables on Mac Paolo Giannozzi
[QE-users] Failed install of executables on Mac Paolo Giannozzi
[QE-users] [SUSPECT ATTACHMENT REMOVED] Restart mode = 'restart' problems. Vasilios Passias
[QE-users] Error in neb.x calculation on Cedar cluster Rutika Savaliya
[QE-users] Error in neb.x calculation on Cedar cluster Dr. K. C. Bhamu
[QE-users] problems computing cholesky Riemann Derakhshan
[QE-users] QE e-School 17-28 May 2021 Paolo Giannozzi
[QE-users] Error in neb.x calculation on Cedar cluster Paolo Giannozzi
[QE-users] problems computing cholesky Jibiao Li
[QE-users] [SUSPECT ATTACHMENT REMOVED] Restart mode = 'restart' problems. Paolo Giannozzi
[QE-users] problems computing cholesky Lorenzo Paulatto
[QE-users] Projwfc.x Mayuri Bora
[QE-users] Projwfc.x Paolo Giannozzi
[QE-users] users Digest, Vol 165, Issue 3 Anish Das
[QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' alberto santonocito
[QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' Paolo Giannozzi
[QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' alberto santonocito
[QE-users] Calculations with van der Waals correction stopped with an error Jibiao Li
[QE-users] Calculations with van der Waals correction stopped with an error Fabrizio Ferrari
[QE-users] Calculations with van der Waals correction stopped with an error Paolo Giannozzi
[QE-users] Calculations with van der Waals correction stopped with an error Michal Krompiec
[QE-users] Calculations with van der Waals correction stopped with an error Paolo Giannozzi
[QE-users] Best setup for reproduction of magnetic moment Evgeny Permyakov
[QE-users] Query regarding Brilloin zone after constructing supercell Pooja Vyas
[QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' alberto santonocito
[QE-users] error in performing ferromagnetic LSDA+U calculation Tavneet Kaur
[QE-users] error in performing ferromagnetic LSDA+U calculation Iurii TIMROV
[QE-users] error in performing ferromagnetic LSDA+U calculation Iurii TIMROV
[QE-users] test-suite problem weber at chemie.uni-siegen.de
[QE-users] test-suite problem Pietro Delugas
[QE-users] test-suite problem Pietro Delugas
[QE-users] test-suite problem Lorenzo Paulatto
[QE-users] Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV
[QE-users] H phase of ZrS2 monolayer Sohail Ahmad
[QE-users] Request for Scholarship Abdul saboor
[QE-users] 回复： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] RE： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] phonon dispersion of alumina Jakob Kraus
[QE-users] Binary version of Qunatum Espresso 6.7 with mGGA library (SCAN) for WIndows 10 ? Husak Michal
[QE-users] Error (#29) in NEB calculation sara bagheri
[QE-users] vc-cp Mohammad Moaddeli
[QE-users] Ris: vc-cp rbertoss at sissa.it
[QE-users] phonon dispersion of alumina Paolo Giannozzi
[QE-users] Convergence not achieved after 100 iterations Pooja Vyas
[QE-users] Error (#29) in NEB calculation Paolo Giannozzi
[QE-users] users Digest, Vol 165, Issue 10 Anish Das
[QE-users] users Digest, Vol 165, Issue 10 Pooja Vyas
[QE-users] Convergence not achieved after 100 iterations Lorenzo Paulatto
[QE-users] occupation=smearing and magnetic moment Evgeny Permyakov
[QE-users] occupation=smearing and magnetic moment mkondrin
[QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
[QE-users] Help on QE + GPU + OpenMP compilation Paolo Giannozzi
[QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
[QE-users] My slab system does not converge during optimization. Can you help me? Jayfe Anthony Abrea
[QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
[QE-users] occupation=smearing and magnetic moment Evgeny Permyakov
[QE-users] Help on QE + GPU + OpenMP compilation Paolo Giannozzi
[QE-users] My slab system does not converge during optimization. Can you please help me? Jayfe Anthony Abrea
[QE-users] My slab system does not converge during optimization. Can you please help me? Alpesh Sheth
[QE-users] My slab system does not converge during optimization. Can you help me? Thomas Brumme
[QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
[QE-users] Help on QE + GPU + OpenMP compilation Pietro Bonfa'
[QE-users] occupation=smearing and magnetic moment mkondrin
[QE-users] Help on QE + GPU + OpenMP compilation Paolo Giannozzi
[QE-users] Help on QE + GPU + OpenMP compilation Sergey Lisenkov
[QE-users] RE： Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV
[QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
[QE-users] My slab system does not converge during optimization. Can you please help me? Jayfe Anthony Abrea
[QE-users] My slab system does not converge during optimization.Can you help me? Thomas Brumme
[QE-users] Rcompilation of QE 6.7 by Cygwin 64 - result does not work ... Michal Husak
[QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
[QE-users] Essential of doing vc-relax - regarding singaravelan T R
[QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
[QE-users] projected Band structure Mayuri Bora
[QE-users] Essential of doing vc-relax - regarding SAURAV LAHIRI
[QE-users] Spin components in pp - plot Ian Shuttleworth
[QE-users] Calculation Error with pw.x on compute Canada cluster Rutika Savaliya
[QE-users] Re： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] Calculation Error with pw.x on compute Canada cluster Paolo Giannozzi
[QE-users] Spin components in pp - plot Paolo Giannozzi
[QE-users] Re： Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV
[QE-users] Doubt in performing vc relax and relax - Reg singaravelan T R
[QE-users] Why magnetic system give zero magnetic moment for all atoms Jibiao Li
[QE-users] Doubt in performing vc relax and relax - Reg Husak Michal
[QE-users] Why magnetic system give zero magnetic moment for all atoms Giuseppe Mattioli
[QE-users] Doubt regarding vc relax and relax - Reg singaravelan T R
[QE-users] Projected Band structure Mayuri Bora
[QE-users] Re： Re： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] ReĢš ReĢš Error happens after setting max_seconds in turbo_davidson.x Kazume NISHIDATE
[QE-users] QE calculation on AWS Rutika Savaliya
[QE-users] Re： ReĢš ReĢš Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] 回复： Re： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] Doubt regarding vc relax and relax - Reg Husak Michal
[QE-users] Re： Re： Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV
[QE-users] Projected Band structure Guido Fratesi
[QE-users] ph.x and GPU architectures Antonio Crepaldi
[QE-users] ph.x and GPU architectures Stefano Baroni
[QE-users] Invalid MIT-MAGIC-COOKIE-1 key Tarek Hammad
[QE-users] Invalid MIT-MAGIC-COOKIE-1 key Lorenzo Paulatto
[QE-users] Invalid MIT-MAGIC-COOKIE-1 key Tarek Hammad
[QE-users] Invalid MIT-MAGIC-COOKIE-1 key Paolo Giannozzi
[QE-users] raman calculate yifeng zhao
[QE-users] Error (#29) in NEB calculation Paolo Giannozzi
[QE-users] Invalid MIT-MAGIC-COOKIE-1 key Microsoft.com team
[QE-users] Re： Re： Re： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
[QE-users] Electron-Phonon Alpesh Sheth
[QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD Sergey Lisenkov
[QE-users] Electron spin-spin interactions Ken Sharman
[QE-users] My slab system does not converge during optimization.Can you help me? Thomas Brumme
[QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD Paolo Giannozzi
[QE-users] Vibration calculation using ph.x Rutika Savaliya
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Fabrizio Ferrari
[QE-users] QE GPU docker at NVIDIA NGC memory hang Karim Elgammal
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Paolo Giannozzi
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Lorenzo Paulatto
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Paolo Giannozzi
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Lorenzo Paulatto
[QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
[QE-users] Re： Re： Re： Error happens after setting max_seconds in turbo_davidson.x 飘
[QE-users] Re： Re： Re： Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV
[QE-users] Vibration calculation using ph.x Rutika Savaliya
[QE-users] Vibration calculation using ph.x Lorenzo Paulatto
[QE-users] error message: Message from routine chdens: namelist plot not found or invalid Мищенко В.Н.
[QE-users] Complex eigenvectors in phonons Nima Karimitari
[QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Raj
[QE-users] alpha2f.x electron-phonon calculation error RICO PRATAMA PUTRA
[QE-users] QE e-School 17-28 May 2021 Reminder Pietro Delugas
[QE-users] Why the choice of different spin orientations leads to completely the same total energy Jibiao Li
[QE-users] alpha2f.x electron-phonon calculation error Paolo Giannozzi
[QE-users] Why the choice of different spin orientations leads to completely the same total energy Juan Hernández-Tecorralco
[QE-users] Inconsistency | Is omega_ln truly in Kelvin Jibiao Li
[QE-users] QE GPU docker at NVIDIA NGC memory hang Louis Stuber
[QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Karim Elgammal
[QE-users] how to add library libfabric.so.1 Jota Be
[QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Raj
[QE-users] how to add library libfabric.so.1 Paolo Giannozzi
[QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Paolo Giannozzi
[QE-users] how to add library libfabric.so.1 Takahiro Chiba
[QE-users] relaxation of a charged system Hanghui Chen
[QE-users] how to add library libfabric.so.1 Jota Be

Last message date: Fri Apr 30 16:57:09 CEST 2021
Archived on: Fri Apr 30 16:57:09 CEST 2021

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