April 2020 Archives by thread

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Starting: Wed Apr 1 06:17:18 CEST 2020
Ending: Thu Apr 30 09:39:14 CEST 2020
Messages: 226

• [QE-users] misbehaving pp.x for plot_num 3   Christoph Wolf
  • [QE-users] misbehaving pp.x for plot_num 3   pdelugas at sissa.it
    • [QE-users] misbehaving pp.x for plot_num 3   Paolo Giannozzi
• [QE-users] Videos of the "Virtual Edition" Wannier90 School online on Materials Cloud Learn   Giovanni Pizzi
• [QE-users] Problem using hse calculation   Nawaf A
  • [QE-users] Problem using hse calculation   Lorenzo Paulatto
• [QE-users] [QE users] pseudopotential hardness and transferability   Aldo Ugolotti
  • [QE-users] [QE users] pseudopotential hardness and transferability   Nicola Marzari
    • [QE-users] [QE users] pseudopotential hardness and transferability   Aldo Ugolotti
      • [QE-users] [QE users] pseudopotential hardness and transferability   Nicola Marzari
      • [QE-users] [QE users] pseudopotential hardness and transferability   Aldo Ugolotti
      • [QE-users] [QE users] pseudopotential hardness and transferability   Nicola Marzari
  • [QE-users] [QE users] pseudopotential hardness and transferability   Paolo Giannozzi
    • [QE-users] [QE users] pseudopotential hardness and transferability   Aldo Ugolotti
• [QE-users] Schrödinger & Kohn: A Stack Exchange for the modeling of molecules and materials   Rashid Rafeek V Valappil
  • [QE-users] Schrödinger & Kohn: A Stack Exchange for the modeling of molecules and materials   Robert Molt
    • [QE-users] Schrödinger & Kohn: A Stack Exchange for the modeling of molecules and materials   Rashid Rafeek V Valappil
• [QE-users] epsilon.x   Fariba Islam
  • [QE-users] epsilon.x   Andrea Ferretti
    • [QE-users] epsilon.x   Fariba Islam
      • [QE-users] epsilon.x   Nicola Marzari
      • [QE-users] epsilon.x   Fariba Islam
      • [QE-users] epsilon.x   Fariba Islam
      • [QE-users] epsilon.x   Nicola Marzari
      • [QE-users] epsilon.x   Fariba Islam
      • [QE-users] epsilon.x   Andrea Ferretti
      • [QE-users] epsilon.x   Paolo Giannozzi
      • [QE-users] epsilon.x   Fariba Islam
      • [QE-users] epsilon.x   Fariba Islam
• [QE-users] SCAN with QE 6.1   Andrew Xu
  • [QE-users] SCAN with QE 6.1   Fabrizio Ferrari
• [QE-users] Smaller xsf files from postproc?   Christoph Wolf
  • [QE-users] Smaller xsf files from postproc?   Paolo Giannozzi
  • [QE-users] Smaller xsf files from postproc?   Christoph Wolf
• [QE-users] recommended methods for slab calculations   Michal Krompiec
  • [QE-users] recommended methods for slab calculations   Giuseppe Mattioli
    • [QE-users] recommended methods for slab calculations   Weitzner, Stephen Eric
    • [QE-users] recommended methods for slab calculations   Michal Krompiec
      • [QE-users] recommended methods for slab calculations   Tobias Klöffel
• [QE-users] users Digest, Vol 153, Issue 2   Nawaf A
• [QE-users] a silly question to set the volume of the unit cell   rekha sharma
  • [QE-users] a silly question to set the volume of the unit cell   Rita Maji
    • [QE-users] a silly question to set the volume of the unit cell   rekha sharma
      • [QE-users] a silly question to set the volume of the unit cell   Rita Maji
• [QE-users] PBCs on cpmd   Pranab Sarker
  • [QE-users] PBCs on cpmd   Giuseppe Mattioli
    • [QE-users] PBCs on cpmd   Paolo Giannozzi
• [QE-users] NEB.X   Eleftheria Gkogkosi
  • [QE-users] NEB.X   Paolo Giannozzi
• [QE-users] Oribital resolved band strucuture   Poonam Kaushik
  • [QE-users] Oribital resolved band strucuture   Guido Fratesi
• [QE-users] growing string method?   Michal Krompiec
  • [QE-users] growing string method?   Michal Krompiec
• [QE-users] Inconsistency of DOS results from qe-6.5 and ge-6.4.1   Artur Durajski
  • [QE-users] Inconsistency of DOS results from qe-6.5 and ge-6.4.1   Paolo Giannozzi
• [QE-users] turbo_davidson/turbo_lanczos and hybrids, periodic systems   Michal Krompiec
  • [QE-users] turbo_davidson/turbo_lanczos and hybrids, periodic systems   Oscar Baseggio
    • [QE-users] turbo_davidson/turbo_lanczos and hybrids, periodic systems   Michal Krompiec
• [QE-users] Negative frequencies on a supercell   Fabio Costa
• [QE-users] Fireside chats for lockdown times: A gentle introduction to density-functional theory   Nicola Marzari
  • [QE-users] Fireside chats for lockdown times: A gentle introduction to density-functional theory   Ian Shuttleworth
    • [QE-users] Fireside chats for lockdown times: A gentle introduction to density-functional theory   Nicola Marzari
      • [QE-users] Fireside chats for lockdown times: A gentle introduction to density-functional theory   Nicola Marzari
• [QE-users] k-points grid with spin-orbit and non-collinear magnetism   Malte Sachs
  • [QE-users] k-points grid with spin-orbit and non-collinear magnetism   Pietro Delugas
    • [QE-users] k-points grid with spin-orbit and non-collinear magnetism   Malte Sachs
      • [QE-users] k-points grid with spin-orbit and non-collinear magnetism   Pietro Delugas
• [QE-users] 3drism-enabled qe   Shaofeng Wang
  • [QE-users] 3drism-enabled qe   Nicola Marzari
    • [QE-users] 3drism-enabled qe   Weitzner, Stephen Eric
• [QE-users] epsilon.x and hybrids   Michal Krompiec
  • [QE-users] epsilon.x and hybrids   Manu Hegde
    • [QE-users] epsilon.x and hybrids   Paolo Giannozzi
      • [QE-users] epsilon.x and hybrids   Lorenzo Paulatto
      • [QE-users] epsilon.x and hybrids   Giuseppe Mattioli
      • [QE-users] epsilon.x and hybrids   Timrov Iurii
      • [QE-users] epsilon.x and hybrids   Michal Krompiec
      • [QE-users] epsilon.x and hybrids   Manu Hegde
      • [QE-users] epsilon.x and hybrids   Michal Krompiec
      • [QE-users] epsilon.x and hybrids   Timrov Iurii
      • [QE-users] epsilon.x and hybrids   Michal Krompiec
• [QE-users] Problem with 2D cutoff and gamma calculations   Mattia Angeli
• [QE-users] Few basic questions for various combinations of &SYSTEM control   rekha sharma
• [QE-users] About the Question on pw forum negative frequency suoercell   Fabio Costa
• [QE-users] XML Parser Error CPMD   bikash sankar kanungo
  • [QE-users] XML Parser Error CPMD   bikash sankar kanungo
    • [QE-users] XML Parser Error CPMD   Pietro Delugas
      • [QE-users] XML Parser Error CPMD   Paolo Giannozzi
      • [QE-users] XML Parser Error CPMD   bikash sankar kanungo
• [QE-users] Born charges of PbS   Vahid Askarpour
  • [QE-users] Born charges of PbS   Stefano de Gironcoli
    • [QE-users] Born charges of PbS   Vahid Askarpour
      • [QE-users] Born charges of PbS   Vahid Askarpour
      • [QE-users] Born charges of PbS   Pietro Delugas
      • [QE-users] Born charges of PbS   Vahid Askarpour
      • [QE-users] Born charges of PbS   Pietro Delugas
      • [QE-users] Born charges of PbS   Vahid Askarpour
• [QE-users] list of tetrahedrons in QE6.3   Ryky Nelson
  • [QE-users] list of tetrahedrons in QE6.3   Paolo Giannozzi
• [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   zhangkan3 at mail.sysu.edu.cn
  • [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   Nicola Marzari
  • [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   Paolo Giannozzi
    • [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   zhangkan3 at mail.sysu.edu.cn
      • [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   Paolo Giannozzi
      • [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   zhangkan3 at mail.sysu.edu.cn
  • [QE-users] Seeking help for SCF calculations on possible semiconductor (Based on several error reports)   zhangkan3 at mail.sysu.edu.cn
• [QE-users] Error in SOC calculations   Mukhtar
• [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Michal Krompiec
  • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Timrov Iurii
    • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Oleksandr Motornyi
      • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Michal Krompiec
      • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Timrov Iurii
      • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Giuseppe Mattioli
      • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Oscar Baseggio
      • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Timrov Iurii
      • [QE-users] safe to enable "k-point algorithm" in turbo_lanczos?   Giuseppe Mattioli
• [QE-users] array index out of bounds error in gww.x   Michal Krompiec
  • [QE-users] array index out of bounds error in gww.x   Michal Krompiec
    • [QE-users] array index out of bounds error in gww.x   Michal Krompiec
• [QE-users] non unifrom kpt grid at epsilon.x   Vivek Christhunathan
  • [QE-users] non unifrom kpt grid at epsilon.x   Andrea Ferretti
  • [QE-users] non unifrom kpt grid at epsilon.x   Fariba Islam
  • [QE-users] non unifrom kpt grid at epsilon.x   Anibal Bezerra
• [QE-users] GWL: wfc_gamma_real only for GAMMA   Michal Krompiec
• [QE-users] Fat bands production in NiO(LDA+U)   Poonam Kaushik
• [QE-users] Why some of the keys used by input file start with &, some not?   Hongyi Zhao
  • [QE-users] Why some of the keys used by input file start with &, some not?   Lorenzo Paulatto
    • [QE-users] Why some of the keys used by input file start with &, some not?   Hongyi Zhao
  • [QE-users] Why some of the keys used by input file start with &, some not?   Paolo Giannozzi
    • [QE-users] Why some of the keys used by input file start with &, some not?   Hongyi Zhao
• [QE-users] [SUSPECT ATTACHMENT REMOVED] QE 6.5 - Plotting Fatbands using projections from projwfc.x in Noncollinear, SOC system   Rishi Bhandia
• [QE-users] Projected density of states calculations on the top of SCF calculations with spin-orbit coupling   Mladenovic Marko
  • [QE-users] Projected density of states calculations on the top of SCF calculations with spin-orbit coupling   Paolo Giannozzi
• [QE-users] Orbital resolved bands production in NiO(LDA+U)   Poonam Kaushik
• [QE-users] How to apply frac-patch.diffs patch for fft order too large error   rekha sharma
  • [QE-users] How to apply frac-patch.diffs patch for fft order too large error   Paolo Giannozzi
    • [QE-users] How to apply frac-patch.diffs patch for fft order too large error   rekha sharma
      • [QE-users] How to apply frac-patch.diffs patch for fft order too large error   Paolo Giannozzi
      • [QE-users] How to apply frac-patch.diffs patch for fft order too large error   rekha sharma
• [QE-users] Si band structure using 8 atoms and SC lattice   Mohamed Saleh
  • [QE-users] Si band structure using 8 atoms and SC lattice   Giovanni Cantele
• [QE-users] Raman output displaying stars   grayj6 at rpi.edu
  • [QE-users] Raman output displaying stars   Offermans Willem
    • [QE-users] Raman output displaying stars   grayj6
  • [QE-users] Raman output displaying stars   Lorenzo Paulatto
    • [QE-users] Raman output displaying stars   grayj6
• [QE-users] pw2gw.x   Fariba Islam
• [QE-users] Possibility of shifting energy for band structure plotting using HSE functional   Shivesh Sivakumar
  • [QE-users] Possibility of shifting energy for band structure plotting using HSE functional   Giuseppe Mattioli
    • [QE-users] Possibility of shifting energy for band structure plotting using HSE functional   Shivesh Sivakumar
• [QE-users] dielectric function from turbo_lanczos   Michal Krompiec
  • [QE-users] dielectric function from turbo_lanczos   Timrov Iurii
    • [QE-users] dielectric function from turbo_lanczos   Michal Krompiec
      • [QE-users] dielectric function from turbo_lanczos   Timrov Iurii
      • [QE-users] dielectric function from turbo_lanczos   Michal Krompiec
      • [QE-users] dielectric function from turbo_lanczos   Timrov Iurii
      • [QE-users] dielectric function from turbo_lanczos   Michal Krompiec
      • [QE-users] dielectric function from turbo_lanczos   Timrov Iurii
• [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Fariba Islam
  • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Paolo Giannozzi
    • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Paolo Giannozzi
    • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Fariba Islam
      • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Paolo Giannozzi
      • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Fariba Islam
      • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Paolo Giannozzi
      • [QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO   Fariba Islam
• [QE-users] Quantum Espresso results visualization   Aldimar Rodrigues
  • [QE-users] Quantum Espresso results visualization   Tone Kokalj
    • [QE-users] Quantum Espresso results visualization   Aldimar Rodrigues
      • [QE-users] Quantum Espresso results visualization   Sydney Liu
  • [QE-users] Quantum Espresso results visualization   Offermans Willem
  • [QE-users] Quantum Espresso results visualization   Michal Krompiec
• [QE-users] High symmetry path and k points   Poonam Kaushik
  • [QE-users] High symmetry path and k points   Lorenzo Paulatto
    • [QE-users] High symmetry path and k points   Nicola Marzari
• [QE-users] The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL   Hongyi Zhao
  • [QE-users] The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL   Paolo Giannozzi
• [QE-users] Projwfc.x and Fortran runtime error: I/O past end of record on unformatted file   Nelson Naveas
  • [QE-users] Projwfc.x and Fortran runtime error: I/O past end of record on unformatted file   Paolo Giannozzi
• [QE-users] MPI errors specific to head.x   Michal Krompiec
• [QE-users] Convergence of hybrids: set dexx >> conv_thr ?   Christoph Wolf
  • [QE-users] Convergence of hybrids: set dexx >> conv_thr ?   Stefano de Gironcoli
• [QE-users] Announcement: MaX webinar on Quantum Espresso May 13th 15:00 CET   Pietro Delugas
• [QE-users] High symmetry path   Poonam Kaushik
• [QE-users] QE Performance on cluster and AMD   Baer, Bradly
  • [QE-users] QE Performance on cluster and AMD   Paolo Giannozzi
    • [QE-users] QE Performance on cluster and AMD   Baer, Bradly
      • [QE-users] QE Performance on cluster and AMD   Lorenzo Paulatto
• [QE-users] Hubbard U orbital order for l=3 states   Christoph Wolf
  • [QE-users] Hubbard U orbital order for l=3 states   Matteo Cococcioni
• [QE-users] strange K-points genration in fat bands caluctions for NiO(LDA+U)   Poonam Kaushik
• [QE-users] Using burai interface as   Aldimar Rodrigues
• [QE-users] 4th component of average spin value array   lot fun
• [QE-users] Encountering errors when installing wannier90   Shivesh Sivakumar
• [QE-users] libxc functionals not listed in Modules/funct.f90, HLE16   Michal Krompiec
  • [QE-users] libxc functionals not listed in Modules/funct.f90, HLE16   Fabrizio Ferrari
    • [QE-users] libxc functionals not listed in Modules/funct.f90, HLE16   Michal Krompiec
• [QE-users] ph.x   sara memarzadeh
  • [QE-users] ('U_projection_type = atomic' ) in hp.x   sara memarzadeh
• [QE-users] K-points mismatch in fat bands calculations.   Poonam Kaushik
• [QE-users] error in libxc-enabled QE run: Internal List-Directed Read   Michal Krompiec
  • [QE-users] error in libxc-enabled QE run: Internal List-Directed Read   Fabrizio Ferrari
• [QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.   Hongyi Zhao
  • [QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.   pdelugas at sissa.it
  • [QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.   Paolo Giannozzi
    • [QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.   pboulet
  • [QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.   Lorenzo Paulatto
    • [QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.   Hongyi Zhao
• [QE-users] Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   zhangkan3 at mail.sysu.edu.cn
  • [QE-users] Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   Fabrizio Ferrari
  • [QE-users] Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   zhangkan3 at mail.sysu.edu.cn
• [QE-users] May 2020 Publication calls :International Journal of Recent advances in Physics (IJRAP)   jin soo
  • [QE-users] May 2020 Publication calls :International Journal of Recent advances in Physics (IJRAP)   Marcelo Kuroda
• [QE-users] Some errors for compiling q-e with intel parallel studio cluster version.   Hongyi Zhao
  • [QE-users] Some errors for compiling q-e with intel parallel studio cluster version.   Paolo Giannozzi
    • [QE-users] Some errors for compiling q-e with intel parallel studio cluster version.   Hongyi Zhao
• [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   zhangkan3 at mail.sysu.edu.cn
  • [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   Paolo Giannozzi
    • [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   zhangkan3 at mail.sysu.edu.cn
      • [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation   zhangkan3 at mail.sysu.edu.cn
• [QE-users] On the use of the modified Becke-Johnson (TB09) functional   Michal Krompiec
• [QE-users] ` make doc ` failed for git develop version of q-e.   Hongyi Zhao
  • [QE-users] ` make doc ` failed for git develop version of q-e.   Oleksandr Motornyi
    • [QE-users] ` make doc ` failed for git develop version of q-e.   Hongyi Zhao
• [QE-users] PW/examples/EXX_example failed to run.   Hongyi Zhao
  • [QE-users] PW/examples/EXX_example failed to run.   Paolo Giannozzi

Last message date: Thu Apr 30 09:39:14 CEST 2020
Archived on: Thu Apr 30 09:39:21 CEST 2020

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