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• [QE-users] Neverending geometry optimization Mauro Sgroi
  • Re: [QE-users] Neverending geometry optimization Paolo Giannozzi
  • Re: [QE-users] Neverending geometry optimization Matic
  • Re: [QE-users] Neverending geometry optimization Mauro Sgroi
• [QE-users] Stability issue in vc-relax for two different pseudo-potentials Manoar Hossain
• [QE-users] error in turbo_eels.x Elio Physics
  • Re: [QE-users] error in turbo_eels.x Oscar Baseggio
  • Re: [QE-users] error in turbo_eels.x Elio Physics
• [QE-users] My input dont converge Carlos Rocha
  • Re: [QE-users] My input dont converge SOUMYAKANTA PANDA via users
  • Re: [QE-users] My input dont converge Giuseppe Mattioli
  • Re: [QE-users] My input dont converge Giuseppe Mattioli
• [QE-users] Error in routine phq_readin Mauro Sgroi
  • Re: [QE-users] Error in routine phq_readin Lorenzo Paulatto
  • Re: [QE-users] Error in routine phq_readin Mauro Sgroi
• [QE-users] Phonon calculation: no convergence achieved Levin Rojas, Natalia
• [QE-users] U correction, transferability Sergey Lisenkov
  • Re: [QE-users] U correction, transferability Stefano de Gironcoli
  • Re: [QE-users] U correction, transferability Iurii TIMROV via users
• [QE-users] local electron attachment energy or electron affinity Максим Арсентьев
• [QE-users] Unable to read namelist INPUT in midpoint calculation of WanT package Savy B
• Re: [QE-users] Regarding the configuration of quantum expresso 6.7 Paolo Giannozzi
• [QE-users] GIPAW PP generation via ld1.x human yaghoob nejad
  • Re: [QE-users] GIPAW PP generation via ld1.x Davide Ceresoli
  • Re: [QE-users] GIPAW PP generation via ld1.x Marcelo Albuquerque
• [QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Jibiao Li
  • Re: [QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Mitsuaki Kawamura
  • Re: [QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Jibiao Li
  • Re: [QE-users] Inconsistency | It seems that omega_ln is in the unit of meV rather than K Jibiao Li
• [QE-users] Regarding exchange interaction parameter SOUMYAKANTA PANDA via users
  • Re: [QE-users] Regarding exchange interaction parameter Matteo Cococcioni
  • Re: [QE-users] Regarding exchange interaction parameter SOUMYAKANTA PANDA via users
• [QE-users] Problem with SOC + DFT-U for f-electron system Sergei Butorin
  • Re: [QE-users] Problem with SOC + DFT-U for f-electron system Paolo Giannozzi
• [QE-users] DFT+U ERROR: Segmentation fault - invalid memory reference Lu
  • Re: [QE-users] DFT+U ERROR: Segmentation fault - invalid memory reference Paolo Giannozzi
• [QE-users] Regarding the calculation on spin and orbital moment SOUMYAKANTA PANDA via users
  • Re: [QE-users] Regarding the calculation on spin and orbital moment Giuseppe Mattioli
  • Re: [QE-users] Regarding the calculation on spin and orbital moment SOUMYAKANTA PANDA via users
  • Re: [QE-users] Regarding the calculation on spin and orbital moment Giuseppe Mattioli
  • Re: [QE-users] Regarding the calculation on spin and orbital moment SOUMYAKANTA PANDA via users
• [QE-users] HSE band structure QE6.3 LEUNG Clarence
  • Re: [QE-users] HSE band structure QE6.3 Giuseppe Mattioli
  • Re: [QE-users] HSE band structure QE6.3 LEUNG Clarence
• [QE-users] neb bug? Aleksandra Oranskaia
  • Re: [QE-users] neb bug? Paolo Giannozzi
  • Re: [QE-users] neb bug? Lorenzo Paulatto
• [QE-users] The 2020/21 Benjamin Franklin Medal in Chemistry awarder to Roberto Car and Michele Parrinello awarded Stefano Baroni
• Re: [QE-users] users Digest, Vol 166, Issue 1 Anish Das
• [QE-users] relaxation of a charged system Hanghui Chen
  • Re: [QE-users] relaxation of a charged system Paolo Giannozzi
• [QE-users] how to add library libfabric.so.1 Jota Be
  • Re: [QE-users] how to add library libfabric.so.1 Paolo Giannozzi
  • Re: [QE-users] how to add library libfabric.so.1 Takahiro Chiba
  • Re: [QE-users] how to add library libfabric.so.1 Jota Be
• [QE-users] Inconsistency | Is omega_ln truly in Kelvin Jibiao Li
• [QE-users] Why the choice of different spin orientations leads to completely the same total energy Jibiao Li
  • Re: [QE-users] Why the choice of different spin orientations leads to completely the same total energy Juan Hernández-Tecorralco via users
• [QE-users] alpha2f.x electron-phonon calculation error RICO PRATAMA PUTRA via users
  • Re: [QE-users] alpha2f.x electron-phonon calculation error Paolo Giannozzi
  • Re: [QE-users] alpha2f.x electron-phonon calculation error RICO PRATAMA PUTRA via users
• [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Raj
  • Re: [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Karim Elgammal
  • Re: [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Raj
  • Re: [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7. Paolo Giannozzi
• [QE-users] Complex eigenvectors in phonons Nima Karimitari
• [QE-users] QE GPU docker at NVIDIA NGC memory hang Karim Elgammal
  • Re: [QE-users] QE GPU docker at NVIDIA NGC memory hang Louis Stuber
• [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Fabrizio Ferrari
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Paolo Giannozzi
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Lorenzo Paulatto
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Paolo Giannozzi
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Lorenzo Paulatto
  • Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. Raj
• [QE-users] Vibration calculation using ph.x Rutika Savaliya
  • [QE-users] Vibration calculation using ph.x Rutika Savaliya
  • Re: [QE-users] Vibration calculation using ph.x Lorenzo Paulatto
• [QE-users] Electron spin-spin interactions Ken Sharman
• [QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD Sergey Lisenkov
  • Re: [QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD Paolo Giannozzi
• [QE-users] Electron-Phonon Alpesh Sheth
• Re: [QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
  • Re: [QE-users] My slab system does not converge during optimization.Can you help me? Thomas Brumme
  • Re: [QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
  • Re: [QE-users] My slab system does not converge during optimization.Can you help me? Thomas Brumme
• [QE-users] raman calculate yifeng zhao
• [QE-users] Invalid MIT-MAGIC-COOKIE-1 key Tarek Hammad
  • Re: [QE-users] Invalid MIT-MAGIC-COOKIE-1 key Lorenzo Paulatto
  • Re: [QE-users] Invalid MIT-MAGIC-COOKIE-1 key Tarek Hammad
  • Re: [QE-users] Invalid MIT-MAGIC-COOKIE-1 key Paolo Giannozzi
  • Re: [QE-users] Invalid MIT-MAGIC-COOKIE-1 key Microsoft . com team
• [QE-users] ph.x and GPU architectures Antonio Crepaldi
  • Re: [QE-users] ph.x and GPU architectures Stefano Baroni
• [QE-users] QE calculation on AWS Rutika Savaliya
• [QE-users] Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x ??
  • Re: [QE-users] ReĢš ReĢš Error happens after setting max_seconds in turbo_davidson.x Kazume NISHIDATE
  • [QE-users] Re： ReĢš ReĢš Error happens after setting max_seconds in turbo_davidson.x 飘
  • Re: [QE-users] Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV via users
  • [QE-users] Re?? Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x ??
  • [QE-users] Re?? Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x ??
  • Re: [QE-users] Re?? Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV via users
• [QE-users] Doubt regarding vc relax and relax - Reg singaravelan T R
  • Re: [QE-users] Doubt regarding vc relax and relax - Reg Husak Michal
• [QE-users] Why magnetic system give zero magnetic moment for all atoms Jibiao Li
  • Re: [QE-users] Why magnetic system give zero magnetic moment for all atoms Giuseppe Mattioli
• [QE-users] Doubt in performing vc relax and relax - Reg singaravelan T R
  • Re: [QE-users] Doubt in performing vc relax and relax - Reg Husak Michal
• Re: [QE-users] Calculation Error with pw.x on compute Canada cluster Paolo Giannozzi
• [QE-users] Re?? Error happens after setting max_seconds in turbo_davidson.x ??
  • Re: [QE-users] Re?? Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV via users
  • [QE-users] ?????? Re?? Error happens after setting max_seconds in turbo_davidson.x ??
• [QE-users] Spin components in pp - plot Ian Shuttleworth
  • Re: [QE-users] Spin components in pp - plot Paolo Giannozzi
• [QE-users] Essential of doing vc-relax - regarding singaravelan T R
  • Re: [QE-users] Essential of doing vc-relax - regarding SAURAV LAHIRI
• Re: [QE-users] My slab system does not converge during optimization. Can you help me? Thomas Brumme
  • Re: [QE-users] My slab system does not converge during optimization.Can you help me? Jayfe Anthony Abrea
  • Re: [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
  • Re: [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
  • Re: [QE-users] My slab system does not converge during optimization. Can you please help me? Alpesh Sheth
  • Re: [QE-users] My slab system does not converge during optimization. Can you please help me? Jayfe Anthony Abrea
• [QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Paolo Giannozzi
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Paolo Giannozzi
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Pietro Bonfa'
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Paolo Giannozzi
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Sergey Lisenkov
  • Re: [QE-users] Help on QE + GPU + OpenMP compilation Giovanni Cantele
• [QE-users] occupation=smearing and magnetic moment Evgeny Permyakov
  • Re: [QE-users] occupation=smearing and magnetic moment mkondrin
  • Re: [QE-users] occupation=smearing and magnetic moment Evgeny Permyakov
  • Re: [QE-users] occupation=smearing and magnetic moment mkondrin
• Re: [QE-users] users Digest, Vol 165, Issue 10 Anish Das
  • Re: [QE-users] users Digest, Vol 165, Issue 10 Pooja Vyas
• [QE-users] Convergence not achieved after 100 iterations Pooja Vyas
  • Re: [QE-users] Convergence not achieved after 100 iterations Lorenzo Paulatto
• [QE-users] vc-cp Mohammad Moaddeli
  • [QE-users] Ris: vc-cp rbert...@sissa.it
• [QE-users] Error (#29) in NEB calculation sara bagheri
  • Re: [QE-users] Error (#29) in NEB calculation Paolo Giannozzi
  • Re: [QE-users] Error (#29) in NEB calculation Paolo Giannozzi
• [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
  • Re: [QE-users] phonon dispersion of alumina Paolo Giannozzi
• [QE-users] RE?? Error happens after setting max_seconds in turbo_davidson.x ??
  • Re: [QE-users] RE?? Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV via users
• [QE-users] H phase of ZrS2 monolayer Sohail Ahmad via users
  • [QE-users] Request for Scholarship Abdul saboor
• [QE-users] Error happens after setting max_seconds in turbo_davidson.x ??
  • Re: [QE-users] Error happens after setting max_seconds in turbo_davidson.x Iurii TIMROV via users
  • [QE-users] ?????? Error happens after setting max_seconds in turbo_davidson.x ??
• [QE-users] test-suite problem we...@chemie.uni-siegen.de
  • Re: [QE-users] test-suite problem Pietro Delugas
  • Re: [QE-users] test-suite problem Pietro Delugas
  • Re: [QE-users] test-suite problem Lorenzo Paulatto
• [QE-users] error in performing ferromagnetic LSDA+U calculation Tavneet Kaur
  • Re: [QE-users] error in performing ferromagnetic LSDA+U calculation Iurii TIMROV via users
  • Re: [QE-users] error in performing ferromagnetic LSDA+U calculation Iurii TIMROV via users
• [QE-users] Query regarding Brilloin zone after constructing supercell Pooja Vyas
• [QE-users] Best setup for reproduction of magnetic moment Evgeny Permyakov
• [QE-users] Calculations with van der Waals correction stopped with an error Jibiao Li
  • Re: [QE-users] Calculations with van der Waals correction stopped with an error Fabrizio Ferrari
  • Re: [QE-users] Calculations with van der Waals correction stopped with an error Paolo Giannozzi
  • Re: [QE-users] Calculations with van der Waals correction stopped with an error Michal Krompiec
  • Re: [QE-users] Calculations with van der Waals correction stopped with an error Paolo Giannozzi
• [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' alberto santonocito
  • Re: [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' Paolo Giannozzi
  • Re: [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax' alberto santonocito
• [QE-users] Projwfc.x Mayuri Bora
  • Re: [QE-users] Projwfc.x Paolo Giannozzi
• Re: [QE-users] users Digest, Vol 165, Issue 3 Anish Das
• [QE-users] QE e-School 17-28 May 2021 Paolo Giannozzi
  • Re: [QE-users] QE e-School 17-28 May 2021 Reminder Pietro Delugas
• [QE-users] problems computing cholesky Riemann Derakhshan
  • Re: [QE-users] problems computing cholesky Lorenzo Paulatto
  • Re: [QE-users] problems computing cholesky Jibiao Li
• Re: [QE-users] Error in neb.x calculation on Cedar cluster Dr. K. C. Bhamu
  • Re: [QE-users] Error in neb.x calculation on Cedar cluster Paolo Giannozzi
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Restart mode = 'restart' problems. Vasilios Passias
  • Re: [QE-users] [SUSPECT ATTACHMENT REMOVED] Restart mode = 'restart' problems. Paolo Giannozzi
• [QE-users] Failed install of executables on Mac Dario Massa
  • Re: [QE-users] Failed install of executables on Mac Arka Prava Sarkar
  • Re: [QE-users] Failed install of executables on Mac Dario Massa
  • Re: [QE-users] Failed install of executables on Mac Paolo Giannozzi
  • Re: [QE-users] Failed install of executables on Mac Paolo Giannozzi
• [QE-users] U calculation for Cd based material Sergey Lisenkov
  • Re: [QE-users] U calculation for Cd based material Matteo Cococcioni
  • Re: [QE-users] U calculation for Cd based material Sergey Lisenkov
• [QE-users] Binding energy calculation o . kazemi
• [QE-users] Error occures when run turbo_davidson.x ??
  • Re: [QE-users] Error occures when run turbo_davidson.x Iurii TIMROV via users
• [QE-users] I have failed to reproduce phonon dispersion of graphene Evgenii

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