September 2022 Archives by thread

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Starting: Thu Sep 1 09:03:32 CEST 2022
Ending: Fri Sep 30 08:11:53 CEST 2022
Messages: 136

• [QE-users] How to fix forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0   Sahil Dani
• [QE-users] Quantum Software Engineering Form   Stefano Taborelli
  • [QE-users] Quantum Software Engineering Form   Stefano Taborelli
• [QE-users] Can QE project selected electronic states of selected atoms into the k-space?   Jibiao Li
• [QE-users] Ionic contributions to the frequency dependent dielectric function using QE?   Rajender Tiwari
• [QE-users] Ensemble_DFT simulation   KRISHNENDU MUKHERJEE
  • [QE-users] Ensemble_DFT simulation   KRISHNENDU MUKHERJEE
  • [QE-users] Ensemble_DFT simulation   KRISHNENDU MUKHERJEE
  • [QE-users] Ensemble_DFT simulation   KRISHNENDU MUKHERJEE
• [QE-users] New Automatic QE-->Yambo Codes version 1.0   Sitangshu Bhattacharya
• [QE-users] [SPAM] "Paratec" and "Eq.(7)" in output of g tensor   王禹齐
  • [QE-users] [SPAM] "Paratec" and "Eq.(7)" in output of g tensor   Davide Ceresoli
• [QE-users] Quantum Espresso with LibXC   Johnson, Miles R.
  • [QE-users] Quantum Espresso with LibXC   Takahiro Chiba
    • [QE-users] Quantum Espresso with LibXC   Johnson, Miles R.
      • [QE-users] Quantum Espresso with LibXC   Paolo Giannozzi
      • [QE-users] Quantum Espresso with LibXC   Takahiro Chiba
      • [QE-users] Quantum Espresso with LibXC   Johnson, Miles R.
• [QE-users] (1) QE-7.1 supports SR NCPP, not FR NCPP. (2) phonon does not support "ortho-atomic" HUBBARD options   None
  • [QE-users] (1) QE-7.1 supports SR NCPP, not FR NCPP. (2) phonon does not support "ortho-atomic" HUBBARD options   Iurii TIMROV
• [QE-users] Doing BOMD using cp.x by taking cg method OR cpmd using thermostate   Jayraj Anadani
• [QE-users] New pseudopotentails compatible with 7.1   Impact Group
  • [QE-users] New pseudopotentails compatible with 7.1   Iurii TIMROV
• [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
  • [QE-users] error of band-structure calculations with tpiba_c   Giovanni Cantele
    • [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
      • [QE-users] error of band-structure calculations with tpiba_c   Giovanni Cantele
  • [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
    • [QE-users] error of band-structure calculations with tpiba_c   Giovanni Cantele
      • [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
      • [QE-users] error of band-structure calculations with tpiba_c   Giovanni Cantele
      • [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
      • [QE-users] error of band-structure calculations with tpiba_c   Giovanni Cantele
      • [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
      • [QE-users] error of band-structure calculations with tpiba_c   Lorenzo Paulatto
  • [QE-users] error of band-structure calculations with tpiba_c   Jibiao Li
• [QE-users] error when doing scf calculation with Hubbard U and in QE 7.1   None
• [QE-users] AiiDA demo and tutorial 2022   Marnik Bercx
• [QE-users] Difference between plot_num = 5 and plot_num = 10 in pp.x   EMANUEL ALBERTO MARTINEZ
• [QE-users] How to handle slab calculations   Léon Luntadila Lufungula
  • [QE-users] How to handle slab calculations   Kazume NISHIDATE
• [QE-users] How to handle slab calculations (Leon Luntadila Lufungula)   Léon Luntadila Lufungula
• [QE-users] eigenvectors failed to converge   ┰☉ ♭ə: №▌
• [QE-users] Post processing for cp.x code in quantum espresso   Jayraj Anadani
  • [QE-users] Post processing for cp.x code in quantum espresso   Giovanni La Penna
    • [QE-users] Post processing for cp.x code in quantum espresso   Jayraj Anadani
• [QE-users] Getting rid of negative values of phonon frequencies for lambda.x calculation   mkondrin
  • [QE-users] Getting rid of negative values of phonon frequencies for lambda.x calculation   mkondrin at hppi.troitsk.ru
• [QE-users] vc relax calculation not giving desired results   naval singh
• [QE-users] Tricky questions on the fake k-points method to get bandstructure with hybrids   Lorenzo Sponza
• [QE-users] spin polarised calculation   naval singh
  • [QE-users] spin polarised calculation   Pietro Bonfa'
    • [QE-users] spin polarised calculation   naval singh
• [QE-users] Best way to choose dt and nstep in AIMD/CPMD simulation using cp.x code in quantum espresso   Jayraj Anadani
  • [QE-users] Best way to choose dt and nstep in AIMD/CPMD simulation using cp.x code in quantum espresso   Kazume NISHIDATE
    • [QE-users] Best way to choose dt and nstep in AIMD/CPMD simulation using cp.x code in quantum espresso   Jayraj Anadani
• [QE-users] gamma points calculation   naval singh
  • [QE-users] gamma points calculation   Nicola Marzari
  • [QE-users] gamma points calculation   Giuseppe Mattioli
    • [QE-users] gamma points calculation   naval singh
• [QE-users] pw2wannier allowed pseudopotentials   Edward Trewick
• [QE-users] It is possible to calculate DFPT+SOC+U in QE now?   None
  • [QE-users] It is possible to calculate DFPT+SOC+U in QE now?   Iurii TIMROV
• [QE-users] problem compiling qe 7.1   Xin Li
• [QE-users] phonon bands shift   Aleksandra Oranskaia
  • [QE-users] phonon bands shift   Nicola Marzari
  • [QE-users] phonon bands shift   Aleksandra Oranskaia
• [QE-users] confusion regarding the reaction activation and adsorption in reaction surface   naval singh
  • [QE-users] confusion regarding the reaction activation and adsorption in reaction surface   pboulet
• [QE-users] q2r with qplot   Aleksandra Oranskaia
  • [QE-users] q2r with qplot   Aleksandra Oranskaia
  • [QE-users] q2r with qplot   Lorenzo Paulatto
  • [QE-users] q2r with qplot   Marcelo Falcão de Oliveira
• [QE-users] forces and stress with ortho-atomic u projection   Mina Hemati
• [QE-users] About error: el-ph coefficient calculation disabled in noncolinear/spinorbit case   Prarena Jamwal
• [QE-users] Error about incorrect atomic position for ESM   Jibiao Li
  • [QE-users] Error about incorrect atomic position for ESM   Giuseppe Mattioli
    • [QE-users] Error about incorrect atomic position for ESM   Jibiao Li
  • [QE-users] Error about incorrect atomic position for ESM   Tom Demeyere
• [QE-users] Fixing of positions of axis in 2-d materials   naval singh
  • [QE-users] Fixing of positions of axis in 2-d materials   Marcelo Falcão de Oliveira
• [QE-users] questions about pseudopotential and calculating the mometum matrix   jy95vowa
• [QE-users] Error in Band structure calculation using hybrid functionals   Johnson, Miles R.
  • [QE-users] Error in Band structure calculation using hybrid functionals   Simon Imanuel Rombauer
    • [QE-users] [External Email] Re: Error in Band structure calculation using hybrid functionals   Hari Paudyal
      • [QE-users] [External Email] Re: Error in Band structure calculation using hybrid functionals   Johnson, Miles R.
• [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Mahmoud Payami Shabestari
  • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Paolo Giannozzi
    • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Mahmoud Payami Shabestari
      • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Paolo Giannozzi
      • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Mahmoud Payami Shabestari
      • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Iurii TIMROV
      • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Mahmoud Payami Shabestari
      • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Iurii TIMROV
      • [QE-users] Some inconsistency between QE-6.7MaX and current QE-7.1   Mahmoud Payami Shabestari
• [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Iurii TIMROV
  • [QE-users] security code for downloading QE   Giuseppe Mattioli
    • [QE-users] R: security code for downloading QE   Pietro Davide Delugas
  • [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Weitzner, Stephen Eric
    • [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Iurii TIMROV
      • [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   TERSOO ATSUE
      • [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Iurii TIMROV
• [QE-users] Phonons and ESM   Tom Demeyere
  • [QE-users] Phonons and ESM   Otani Minoru
  • [QE-users] Phonons and ESM   Tom Demeyere
• [QE-users] K-points, smearing and hybrid functionals in metals.   Lorenzo Sponza
  • [QE-users] K-points, smearing and hybrid functionals in metals.   Lorenzo Paulatto
• [QE-users] vc relaxation giving weird results   naval singh
• [QE-users] Hubbard error in dos.x and projwfc.x   Daniel B. Straus
  • [QE-users] Hubbard error in dos.x and projwfc.x   Iurii TIMROV
• [QE-users] segmentation fault with smeared calculation   Johnson, Miles R.
  • [QE-users] segmentation fault with smeared calculation   Paolo Giannozzi
    • [QE-users] segmentation fault with smeared calculation   Johnson, Miles R.
      • [QE-users] segmentation fault with smeared calculation   Paolo Giannozzi
• [QE-users] restart of 'relax' after crash ?   Ilias Miroslav, doc. RNDr., PhD.
  • [QE-users] restart of 'relax' after crash ?   Che, Q. (Qijun)
    • [QE-users] restart of 'relax' after crash ?   Paolo Giannozzi
  • [QE-users] restart of 'relax' after crash ?   Paolo Giannozzi
    • [QE-users] restart of 'relax' after crash ?   Ilias Miroslav, doc. RNDr., PhD.
• [QE-users] Error in reading xml data file   Eesha Sanjay Andharia
  • [QE-users] Error in reading xml data file   Paolo Giannozzi
• [QE-users] High-entropy oxides   Connor Wilson
  • [QE-users] High-entropy oxides   mkondrin at hppi.troitsk.ru
• [QE-users] SCF calculation of MD file   Jayraj Anadani
• [QE-users] running error   Haider Abbas
  • [QE-users] running error   Jayraj Anadani
  • [QE-users] running error   Paolo Giannozzi
• [QE-users] Convergence Not Achived in one-step SCF Calculation   Wenda Wu
  • [QE-users] Convergence Not Achived in one-step SCF Calculation   VNU Quang Tran
    • [QE-users] [EXT] Re: Convergence Not Achived in one-step SCF Calculation   Wenda Wu
• [QE-users] A question regarding tot_magnetization   Giovanni Cantele
  • [QE-users] A question regarding tot_magnetization   Kazume NISHIDATE
• [QE-users] Analysis of ".evp" File generated by cp.x code in quantum espresso   Jayraj Anadani
  • [QE-users] Analysis of ".evp" File generated by cp.x code in quantum espresso   Kazume NISHIDATE
    • [QE-users] Analysis of ".evp" File generated by cp.x code in quantum espresso   Jayraj Anadani
• [QE-users] ENTROPY AT ZERO TEMPERATURE   Musa Hussien

Last message date: Fri Sep 30 08:11:53 CEST 2022
Archived on: Fri Sep 30 08:27:57 CEST 2022

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