December 2016 Archives by thread

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Starting: Thu Dec 1 16:46:01 CET 2016
Ending: Sat Dec 31 10:24:36 CET 2016
Messages: 180

• [Pw_forum] PSEUDOPOTENTIAL CONVERTER   Himani Mishra
  • [Pw_forum] PSEUDOPOTENTIAL CONVERTER   dario rocca
• [Pw_forum] problem with DFT+U   Sergi Vela
  • [Pw_forum] problem with DFT+U   Paolo Giannozzi
    • [Pw_forum] problem with DFT+U   Sergi Vela
      • [Pw_forum] problem with DFT+U   Lorenzo Paulatto
• [Pw_forum] Fatal error in PMPI_Group_incl, possibly related to ScaLAPACK libraries   Ryan Herchig
  • [Pw_forum] Fatal error in PMPI_Group_incl, possibly related to ScaLAPACK libraries   Paolo Giannozzi
    • [Pw_forum] Fatal error in PMPI_Group_incl, possibly related to ScaLAPACK libraries   Ryan Herchig
      • [Pw_forum] Fatal error in PMPI_Group_incl, possibly related to ScaLAPACK libraries   Paolo Giannozzi
• [Pw_forum] Large attachments   Paolo Giannozzi
  • [Pw_forum] Large attachments   Filippo Spiga
• [Pw_forum] spin-orbit interaction + pressure   Maksim Markov
  • [Pw_forum] spin-orbit interaction + pressure   Максим Арсентьев
• [Pw_forum] problem plotting graphene band structure   Shan
• [Pw_forum] Interpret Band structure graph   systechno at yahoo.com
  • [Pw_forum] Interpret Band structure graph   Giuseppe Mattioli
• [Pw_forum] (no subject)   Rita Maji
  • [Pw_forum] (no subject)   Σωτήρης Φράγκος
• [Pw_forum] van der waals   dihi dihi
• [Pw_forum] QE-GPU (installation)   Phanikumar Pentyala
  • [Pw_forum] QE-GPU (installation)   Filippo SPIGA
    • [Pw_forum] QE-GPU (installation)   Phanikumar Pentyala
      • [Pw_forum] QE-GPU (installation)   Filippo SPIGA
      • [Pw_forum] QE-GPU (installation)   Phanikumar Pentyala
      • [Pw_forum] QE-GPU (installation)   Filippo SPIGA
      • [Pw_forum] QE-GPU (installation)   Phanikumar Pentyala
• [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Mohammed Ghadiyali
  • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Pietro Delugas
    • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   ulrich.aschauer at dcb.unibe.ch
  • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Mohammed Ghadiyali
    • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Pietro Delugas
      • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Pietro Delugas
  • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Mohammed Ghadiyali
  • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Mohammed Ghadiyali
    • [Pw_forum] Negative Phonon Frequencies - Numerical instability or unstable structure   Sitangshu Bhattacharya
• [Pw_forum] tot_charge in nano structures   Zara Nosh
  • [Pw_forum] tot_charge in nano structures   Mostafa Youssef
    • [Pw_forum] tot_charge in nano structures   Thomas Brumme
• [Pw_forum] Fwd: qe-6.0 pw_export.x error   Jun Jiang
  • [Pw_forum] Fwd: qe-6.0 pw_export.x error   Paolo Giannozzi
• [Pw_forum] Projections of quantum number   Jiantuo Gan
  • [Pw_forum] Projections of quantum number   Giuseppe Mattioli
    • [Pw_forum] Projections of quantum number   Jiantuo Gan
• [Pw_forum] virtual crystal approximation   Abdullah N. Albarakati
  • [Pw_forum] virtual crystal approximation   Federico Iori
• [Pw_forum] SCF run not converging   sayan chaudhuri
  • [Pw_forum] SCF run not converging   Lorenzo Paulatto
    • [Pw_forum] SCF run not converging   Максим Арсентьев
      • [Pw_forum] SCF run not converging   Lorenzo Paulatto
      • [Pw_forum] SCF run not converging   sayan chaudhuri
      • [Pw_forum] SCF run not converging   Paolo Giannozzi
      • [Pw_forum] SCF run not converging   sayan chaudhuri
      • [Pw_forum] SCF run not converging   Paolo Giannozzi
      • [Pw_forum] SCF run not converging   Lorenzo Paulatto
      • [Pw_forum] SCF run not converging   sayan chaudhuri
      • [Pw_forum] SCF run not converging   Paolo Giannozzi
• [Pw_forum] Greek letter in gnuplot bandplot   alberto
  • [Pw_forum] Greek letter in gnuplot bandplot   Francesco Pelizza
  • [Pw_forum] Greek letter in gnuplot bandplot   Lorenzo Paulatto
• [Pw_forum] 0   ashkan shekaari
  • [Pw_forum] 0   Stefano de Gironcoli
• [Pw_forum] Phonon under pressure   Subhodip Chatterjee
  • [Pw_forum] Phonon under pressure   Mostafa Youssef
    • [Pw_forum] Phonon under pressure   Subhodip Chatterjee
  • [Pw_forum] Phonon under pressure   Mostafa Youssef
• [Pw_forum] MARVEL postdoc in science or engineering: Integration of the nanoporous genome with AiiDA and the Materials Cloud   Giovanni Pizzi
  • [Pw_forum] MARVEL postdoc in science or engineering: Integration of the nanoporous genome with AiiDA and the Materials Cloud   Marzari Nicola
• [Pw_forum] A question about PSP Ti.pbe-mt_fhi.UPF and a general question about DFT+U in QE   evan
  • [Pw_forum] A question about PSP Ti.pbe-mt_fhi.UPF and a general question about DFT+U in QE   evan
• [Pw_forum] ASR in an unstable structure   Uri Argaman
• [Pw_forum] are the hyper-polarizabilites available for periodic systems?   Vitaly Korepanov
• [Pw_forum] Plotting fewer bands than the ones calculated by pw.x   Yasser Fowad AlWahedi
• [Pw_forum] A Naive way of PP Generation with a core hole   Evren Ataman
• [Pw_forum] Physics of Anderson Localization   Sitangshu Bhattacharya
  • [Pw_forum] Physics of Anderson Localization   Nicola Marzari
    • [Pw_forum] Physics of Anderson Localization   Sitangshu Bhattacharya
    • [Pw_forum] Physics of Anderson Localization   W2AGZ
      • [Pw_forum] Physics of Anderson Localization   Sitangshu Bhattacharya
• [Pw_forum] orbital magnetization with paw pseudopotentials   eitan eidelstein
• [Pw_forum] problem with tddfpt: This type of the supercell is not supported   Tiana Davide
  • [Pw_forum] problem with tddfpt: This type of the supercell is not supported   Timrov Iurii
  • [Pw_forum] problem with tddfpt: This type of the supercell is not supported   Tiana Davide
    • [Pw_forum] problem with tddfpt: This type of the supercell is not supported   Giuseppe Mattioli
    • [Pw_forum] problem with tddfpt: This type of the supercell is not supported   Timrov Iurii
• [Pw_forum] Mulliken population analysis   Crepisson Celine
• [Pw_forum] Number of iterations   fataneh bostan afroz
  • [Pw_forum] Number of iterations   ashkan shekaari
  • [Pw_forum] Number of iterations   Paolo Giannozzi
• [Pw_forum] atomic positions by space_group (subroutine ccord in wyckoff.f90 )   quantum
  • [Pw_forum] atomic positions by space_group (subroutine ccord in wyckoff.f90 )   Andrea Dal Corso
• [Pw_forum] Error write_dfile_star   MICHALCHUK Adam
• [Pw_forum] dos with hybrid calculations   Tiana Davide
  • [Pw_forum] dos with hybrid calculations   Mohammed Khalafalla
• [Pw_forum] compilation problem with intel parallel studio 2017   Uri Argaman
  • [Pw_forum] compilation problem with intel parallel studio 2017   Paolo Giannozzi
  • [Pw_forum] compilation problem with intel parallel studio 2017   Stephen Weitzner
• [Pw_forum] ESM error in qe 6.0   Alessandra Satta
  • [Pw_forum] ESM error in qe 6.0   Minoru Otani
    • [Pw_forum] ESM error in qe 6.0   Alessandra Satta
      • [Pw_forum] ESM error in qe 6.0   Paolo Giannozzi
• [Pw_forum] melt   ashkan shekaari
  • [Pw_forum] melt   Marzari Nicola
• [Pw_forum] Adsorption energy calculation with cp.x and pw.x?   Rolly Ng
• [Pw_forum] Howto DIY a small cluster with Infiniband for QE simulation?   Rolly Ng
  • [Pw_forum] Howto DIY a small cluster with Infiniband for QE simulation?   Filippo SPIGA
• [Pw_forum] Error in bands.x: problem with the matrix   Chong Wang
• [Pw_forum] Which vdW Schemes are in DFPT?   MICHALCHUK Adam
  • [Pw_forum] Which vdW Schemes are in DFPT?   Paolo Giannozzi
• [Pw_forum] i brav findinf   ehsan targholi
  • [Pw_forum] i brav findinf   Andrea Dal Corso
• [Pw_forum] setting the occupancy of given atom in pw.x input   Kajal Jindal
• [Pw_forum] Run using a relaxed structure as initial one NOT converge in fir st few ionic steps.   quantum
  • [Pw_forum] Run using a relaxed structure as initial one NOT converge in fir st few ionic steps.   Giovanni Cantele
  • [Pw_forum] Run using a relaxed structure as initial one NOT converge in fir st few ionic steps.   stefano de gironcoli
    • [Pw_forum] Run using a relaxed structure as initial one NOT converge in fir st few ionic steps.   quantum
      • [Pw_forum] Run using a relaxed structure as initial one NOT converge in fir st few ionic steps.   Giovanni Cantele
      • [Pw_forum] Run using a relaxed structure as initial one NOT converge in fir st few ionic steps.   Paolo Giannozzi
• [Pw_forum] CP   ashkan shekaari
• [Pw_forum] Fully relativistic PPs for rare-earth elements   Mr. Sushant Kumar Behera
• [Pw_forum] URGENT   ashkan shekaari
  • [Pw_forum] URGENT   Paolo Giannozzi
  • [Pw_forum] URGENT   ashkan shekaari
    • [Pw_forum] URGENT   Varadharajan Srinivasan
• [Pw_forum] Postdoctoral Fellowship in Computational Materials Science for Renewable Fuels and Feedstocks   Ankit Jain
• [Pw_forum] Possible bug in Modules/wypos.f90   Xiao Kaijian
  • [Pw_forum] Possible bug in Modules/wypos.f90   Paolo Giannozzi
• [Pw_forum] dielectric const, ref index, reflectivity, absorption coefficient   Sohail Ahmad
• [Pw_forum] Relaxation of coordinates in TDDFT   Andreas Röckert
  • [Pw_forum] Relaxation of coordinates in TDDFT   Timrov Iurii
    • [Pw_forum] Relaxation of coordinates in TDDFT   Paolo Giannozzi
• [Pw_forum] Dudarev DFT+U version   evan
• [Pw_forum] Quantum ESPRESSO Developers Meeting 2017 (plus details to attend in live streaming!)   Filippo SPIGA
• [Pw_forum] file formats of p_avg.dat   Chong Wang
• [Pw_forum] Crystal space group   Uttam Paliwal
  • [Pw_forum] Crystal space group   GAO Zhe
    • [Pw_forum] Crystal space group   Paolo Giannozzi
      • [Pw_forum] Crystal space group   GAO Zhe
• [Pw_forum] time-in-CPMD   ashkan shekaari
• [Pw_forum] ​propagation direction of LO-TO splitting for dynmat.in file phonon calculation   Wei Li
  • [Pw_forum] ​propagation direction of LO-TO splitting for dynmat.in file phonon calculation   stefano de gironcoli
• [Pw_forum] Compare spin-orbit with lsda   eitan eidelstein
• [Pw_forum] ?propagation direction of LO-TO splitting for dynmat.in file phonon calculation   Wei Li
  • [Pw_forum] ?propagation direction of LO-TO splitting for dynmat.in file phonon calculation   Pietro Delugas
• [Pw_forum] Question about the error during bond distance energy scan   JeJoon Yeon
• [Pw_forum] helloI wish I calculate a quantum dot whith size 20*20*20 nano meter .I'm going to change to not bulk calculation .But only the quantum dot calculation   ali mehdizadeh
• [Pw_forum] Another problem with bands.x "reading band namelist"   Imam Setiawan
  • [Pw_forum] Another problem with bands.x "reading band namelist"   Paolo Giannozzi
    • [Pw_forum] Bls: Another problem with bands.x "reading band namelist"   Imam Setiawan
• [Pw_forum] vdW + spin-orbit   ‪zahra ghasemi majd‬ ‪
• [Pw_forum] Pw_forum Digest, Vol 113, Issue 23   mohammadreza hosseini
• [Pw_forum] Fwd: PAW pseudo for Mn   mohammadreza hosseini
  • [Pw_forum] Fwd: PAW pseudo for Mn   Mostafa Youssef
• [Pw_forum] Selection of functional type for Raman Spectra   Masood Yousaf
• [Pw_forum] Bethe-Salpeter equation and trion   Sitangshu Bhattacharya
• [Pw_forum] Problem: different output with identical input   Pablo García Risueño
  • [Pw_forum] Problem: different output with identical input   Ilya Ryabinkin
  • [Pw_forum] Problem: different output with identical input   Paolo Giannozzi
    • [Pw_forum] Problem: different output with identical input   Pablo García Risueño
      • [Pw_forum] Problem: different output with identical input   Paolo Giannozzi
      • [Pw_forum] Problem: different output with identical input   Stefano de Gironcoli
      • [Pw_forum] Problem: different output with identical input   Pablo García Risueño
      • [Pw_forum] Problem: different output with identical input   Pietro Delugas
• [Pw_forum] Problem   Pablo García Risueño
• [Pw_forum] Job Termination after 1 scf   Elliot S. Menkah
• [Pw_forum] effective mass calculation   alberto
  • [Pw_forum] effective mass calculation   alberto
• [Pw_forum] PAW Pseudo for Mn   mohammadreza hosseini
  • [Pw_forum] PAW Pseudo for Mn   Antimo Marrazzo
• [Pw_forum] cp.x: atomic positions and cell parameters in restart file   Zeeshan Ahmad
• [Pw_forum] QE-GPU problems.   Konrad Gruszka
  • [Pw_forum] QE-GPU problems.   Rolly Ng
  • [Pw_forum] QE-GPU problems.   Oliver Generalao
• [Pw_forum] Pwgui for gw   Uttam Paliwal
• [Pw_forum] cp.x stops exceeding the maximum number of iteration   Rolly Ng
  • [Pw_forum] cp.x stops exceeding the maximum number of iteration   Максим Арсентьев
• [Pw_forum] Change of phase   HASSAN AHMOUM
  • [Pw_forum] Change of phase   Mohammed Khalafalla
• [Pw_forum] How should I use starting_ns_eigenvalue to construct the desire occupations?   Rui Pang
• [Pw_forum] in Vcrelax -angles of cell parameter are changing   Raj kamal

Last message date: Sat Dec 31 10:24:36 CET 2016
Archived on: Wed Feb 28 11:16:21 CET 2018

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