August 2016 Archives by thread

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Starting: Mon Aug 1 16:42:38 CEST 2016
Ending: Wed Aug 31 22:41:29 CEST 2016
Messages: 256

• [Pw_forum] Pseudopotentials   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Variable cell and EXX not tested   Muhammad Adnan Saqlain
• [Pw_forum] Default value of nbnd for GaAs   Mohammad Abu Raihan Miah
  • [Pw_forum] Default value of nbnd for GaAs   Krishnendu Ghosh
    • [Pw_forum] Default value of nbnd for GaAs   Mohammad Abu Raihan Miah
• [Pw_forum] Problem with hybrid pseupotentials calculations   Muhammad Adnan Saqlain
  • [Pw_forum] Problem with hybrid pseupotentials calculations   stefano de gironcoli
    • [Pw_forum] Problem with hybrid pseupotentials calculations   Muhammad Adnan Saqlain
    • [Pw_forum] Problem with hybrid pseupotentials calculations   Muhammad Adnan Saqlain
      • [Pw_forum] Problem with hybrid pseupotentials calculations   stefano de gironcoli
• [Pw_forum] Problem regarding transition from indirect to direct bandgap for P doped Si   Mohammad Abu Raihan Miah
  • [Pw_forum] Problem regarding transition from indirect to direct bandgap for P doped Si   stefano de gironcoli
    • [Pw_forum] Problem regarding transition from indirect to direct bandgap for P doped Si   Mohammad Abu Raihan Miah
      • [Pw_forum] Problem regarding transition from indirect to direct bandgap for P doped Si   Stefano de Gironcoli
      • [Pw_forum] Problem regarding transition from indirect to direct bandgap for P doped Si   Mohammad Abu Raihan Miah
• [Pw_forum] Equilibrium Lattice Constant   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Equilibrium Lattice Constant   Максим Арсентьев
    • [Pw_forum] Equilibrium Lattice Constant   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Error in charge difference   Ozan Dernek
  • [Pw_forum] Error in charge difference   Mostafa Youssef
  • [Pw_forum] Error in charge difference   Paolo Giannozzi
• [Pw_forum] make ph strangely stops without error in 'install' folder   Christoph Wolf(신소재공학과)
  • [Pw_forum] make ph strangely stops without error in 'install' folder   Paolo Giannozzi
• [Pw_forum] The GaAs band structure problem   evan
  • [Pw_forum] The GaAs band structure problem   stefano de gironcoli
    • [Pw_forum] The GaAs band structure problem   evan
• [Pw_forum] make ph strangely stops without error in 'install' folder (Christoph Wolf (??????))   Muthu V
• [Pw_forum] force the system to charge transferring   ZARA NBSH
• [Pw_forum] vc-relax with homogeneous electric field   Mostafa Youssef
• [Pw_forum] Molecular Dynamics Restart Failure   Paolo Giannozzi
• [Pw_forum] ph.x Grid for dvscf   Ankit Jain
• [Pw_forum] VC-RELAX and Convergence Test   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Give me a simple example (input file) for dist.x   Mojtaba Mirseraji
• [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
  • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   dario rocca
    • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   dario rocca
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   dario rocca
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   dario rocca
  • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
    • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Paolo Giannozzi
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Paolo Giannozzi
      • [Pw_forum] "scf" calculation with "PBE0" hybrid functional   Narendranath Ghosh
• [Pw_forum] [Reg] Supercell relaxation is stopping without giving any error for larger super-cell on cluster.   Md Mahabul Islam
  • [Pw_forum] [Reg] Supercell relaxation is stopping without giving any error for larger super-cell on cluster.   Dae Kwang Jun
• [Pw_forum] Pseudopotential   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Pseudopotential   Manu Hegde
    • [Pw_forum] Pseudopotential   Manu Hegde
      • [Pw_forum] Pseudopotential   Mofrad, Amir Mehdi (MU-Student)
      • [Pw_forum] Pseudopotential   stefano de gironcoli
• [Pw_forum] band gap from hybrid pseudopotentials   saqlain
  • [Pw_forum] band gap from hybrid pseudopotentials   毛飞
    • [Pw_forum] band gap from hybrid pseudopotentials   saqlain
      • [Pw_forum] band gap from hybrid pseudopotentials   毛飞
      • [Pw_forum] A question about the wrong point group symmetries of one-dimensional structures   Karim REZOUALI
      • [Pw_forum] Polarization dependence of the Raman spectrum   Karim REZOUALI
      • [Pw_forum] band gap from hybrid pseudopotentials   MSaqlain
  • [Pw_forum] band gap from hybrid pseudopotentials   Lorenzo Paulatto
    • [Pw_forum] band gap from hybrid pseudopotentials   MSaqlain
      • [Pw_forum] band gap from hybrid pseudopotentials   Lorenzo Paulatto
      • [Pw_forum] band gap from hybrid pseudopotentials   MSaqlain
      • [Pw_forum] band gap from hybrid pseudopotentials   Lorenzo Paulatto
      • [Pw_forum] band gap from hybrid pseudopotentials   MSaqlain
• [Pw_forum] Comparing xspectra to experimental data: absolute energy shift   Hud Wahab
  • [Pw_forum] Comparing xspectra to experimental data: absolute energy shift   Guido Fratesi
• [Pw_forum] q-point list in matdyn.in   Subhodip Chatterjee
  • [Pw_forum] q-point list in matdyn.in   Bahadır SALMANKURT
    • [Pw_forum] q-point list in matdyn.in   Subhodip Chatterjee
      • [Pw_forum] q-point list in matdyn.in   Bahadır SALMANKURT
      • [Pw_forum] q-point list in matdyn.in   Subhodip Chatterjee
• [Pw_forum] Regarding pp.x producing negative coordinate   Iftikhar Ahmad Niaz
• [Pw_forum] problem in spin configuration   Neha Bothra
  • [Pw_forum] problem in spin configuration   Neha Bothra
• [Pw_forum] young modulus   Mansoureh Pashangpour
• [Pw_forum] force system to charge transferring   ZARA NBSH
  • [Pw_forum] force system to charge transferring   Mostafa Youssef
• [Pw_forum] Fwd: Problem getting projections and .mmn file   sudipta
• [Pw_forum] problem with pp.x: unable to write quantity data   babaryk at univ.kiev.ua
  • [Pw_forum] problem with pp.x: unable to write quantity data   Paolo Giannozzi
    • [Pw_forum] problem with pp.x: unable to write quantity data   babaryk at univ.kiev.ua
• [Pw_forum] "q mesh breaks symmetry" error even with q mesh being the same as k mesh   Thomas Brumme
  • [Pw_forum] "q mesh breaks symmetry" error even with q mesh being the same as k mesh   stefano de gironcoli
    • [Pw_forum] "q mesh breaks symmetry" error even with q mesh being the same as k mesh   Thomas Brumme
      • [Pw_forum] "q mesh breaks symmetry" error even with q mesh being the same as k mesh   stefano de gironcoli
      • [Pw_forum] "q mesh breaks symmetry" error even with q mesh being the same as k mesh   Thomas Brumme
• [Pw_forum] under estimation of band gap by B3LYP   MSaqlain
• [Pw_forum] The relation between total PDOS and DOS   reza vatan
  • [Pw_forum] The relation between total PDOS and DOS   reza vatan
    • [Pw_forum] The relation between total PDOS and DOS   Holzwarth, Natalie
• [Pw_forum] turboTDDFT with spin polarized system   SungHwan Choi
  • [Pw_forum] turboTDDFT with spin polarized system   Timrov Iurii
• [Pw_forum] Error in routine check_tempdir   GAO Zhe
  • [Pw_forum] Error in routine check_tempdir   Paolo Giannozzi
    • [Pw_forum] Error in routine check_tempdir   GAO Zhe
• [Pw_forum] Problem getting projections and .mmn file   sudipta
• [Pw_forum] Ru_atomic_calculation   Kai Trepte
• [Pw_forum] segmentation fault with gipaw   Mohan maruthi sena
• [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Rolly Ng
  • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Максим Арсентьев
  • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Guido Fratesi
    • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Максим Арсентьев
    • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Guido Fratesi
      • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Rolly Ng
      • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Guido Fratesi
      • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Rolly Ng
      • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Rolly Ng
      • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Paolo Giannozzi
      • [Pw_forum] Using molecularpdos.x for adsorption on metal-doped graphene   Rolly Ng
• [Pw_forum] vc-relax not converge   Nkosinathi Malaza
  • [Pw_forum] vc-relax not converge   Mostafa Youssef
  • [Pw_forum] vc-relax not converge   Mostafa Youssef
    • [Pw_forum] vc-relax not converge   Nkosinathi Malaza
  • [Pw_forum] vc-relax not converge   Mostafa Youssef
    • [Pw_forum] vc-relax not converge   Nkosinathi Malaza
• [Pw_forum] 回复: Using molecularpdos.x for adsorption on metal-doped graphene   Rolly Ng
• [Pw_forum] plotproj.x   Hildebrand, Mariana
• [Pw_forum] DFPT + vdW   MICHALCHUK Adam
  • [Pw_forum] DFPT + vdW   stefano de gironcoli
• [Pw_forum] band structure calculations with hybrid functional   MSaqlain
• [Pw_forum] pw.x parallelisation   Ullah, Habib
  • [Pw_forum] pw.x parallelisation   Stefano de Gironcoli
    • [Pw_forum] pw.x parallelisation   Ullah, Habib
• [Pw_forum] band structure calculation with hybrid scheme   MSaqlain
• [Pw_forum] Lattice Constant   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Lattice Constant   Nicola Marzari
• [Pw_forum] band structure and band gap using hybrid calculations   MSaqlain
  • [Pw_forum] band structure and band gap using hybrid calculations   Paolo Giannozzi
    • [Pw_forum] band structure and band gap using hybrid calculations   MSaqlain
• [Pw_forum] stress- strain curve   Mansoureh Pashangpour
• [Pw_forum] Unit conversion   Abolore Musari
  • [Pw_forum] Fwd: Unit conversion   Abolore Musari
    • [Pw_forum] Fwd: Unit conversion   Lorenzo Paulatto
• [Pw_forum] Simulations for Metal Oxides Clusters   Ullah, Habib
• [Pw_forum] I'm a beginner QE user, please guide me   Fatemeh Ghanavati
  • [Pw_forum] I'm a beginner QE user, please guide me   Fatemeh Ghanavati
• [Pw_forum] etot_conv_thr and forc_conv_thr   Francesco Macheda
• [Pw_forum] Instability of Ni pseudopotential from PW_Library   Merlin Meheut
  • [Pw_forum] Instability of Ni pseudopotential from PW_Library   Nicola Marzari
• [Pw_forum] When to use dipole correction?   Dae Kwang Jun
  • [Pw_forum] When to use dipole correction?   Anand Chandra
    • [Pw_forum] When to use dipole correction?   Dae Kwang Jun
• [Pw_forum] Problem in Si band structure   MSaqlain
• [Pw_forum] question on installing quantum espresso   Yu, Tao
  • [Pw_forum] question on installing quantum espresso   Nicola Marzari
• [Pw_forum] Vanderbilt Type Pseudopotential   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Vanderbilt Type Pseudopotential   Ullah, Habib
  • [Pw_forum] Vanderbilt Type Pseudopotential   Nicola Marzari
    • [Pw_forum] Vanderbilt Type Pseudopotential   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] vc-relax total energy increases at the last step   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] vc-relax total energy increases at the last step   Robert Wexler
  • [Pw_forum] vc-relax total energy increases at the last step   Anand Chandra
• [Pw_forum] Total energy of adsorbed molecule in a full system   Rolly Ng
  • [Pw_forum] Total energy of adsorbed molecule in a full system   Stefano de Gironcoli
    • [Pw_forum] Total energy of adsorbed molecule in a full system   Rolly Ng
      • [Pw_forum] Total energy of adsorbed molecule in a full system   Paolo Giannozzi
      • [Pw_forum] Total energy of adsorbed molecule in a full system   Rolly Ng
• [Pw_forum] Projected Band structure   Riemann Derakhshan
  • [Pw_forum] Projected Band structure   Rolly Ng
• [Pw_forum] efficient parallelization of phonon jobs without manual distribution (GRID)   Christoph Wolf(신소재공학과)
• [Pw_forum] quantum espresso GPU   Francesco Pelizza
  • [Pw_forum] quantum espresso GPU   Rolly Ng
• [Pw_forum] Relax charged system   Nkosinathi Malaza
  • [Pw_forum] Relax charged system   Mostafa Youssef
• [Pw_forum] MPI Error   SELLAVEL E ca15m006
  • [Pw_forum] MPI Error   Paolo Giannozzi
• [Pw_forum] problem regarding posting   Neha Bothra
• [Pw_forum] New plot_num in pp.x   Parham Shenavar
• [Pw_forum] Error in turbu_spectrum.x   Ullah, Habib
  • [Pw_forum] Error in turbu_spectrum.x   dario rocca
    • [Pw_forum] Error in turbu_spectrum.x   Ullah, Habib
      • [Pw_forum] Error in turbu_spectrum.x   Ullah, Habib
      • [Pw_forum] Error in turbu_spectrum.x   dario rocca
• [Pw_forum] Neb doesn't start   Alexandra C. Davila Lopez
  • [Pw_forum] Neb doesn't start   stefano de gironcoli
    • [Pw_forum] Neb doesn't start   Ifeanyi John ONUORAH
  • [Pw_forum] Neb doesn't start   Paolo Giannozzi
• [Pw_forum] Ngative frequencies for extrapolated phonon points   Elio Physics
• [Pw_forum] Negative frequencies for extrapolated points   Elio Physics
• [Pw_forum] charge density vizualization using xcrysden   Uri Argaman
  • [Pw_forum] charge density vizualization using xcrysden   Manu Hegde
    • [Pw_forum] charge density vizualization using xcrysden   Arles V. Gil Rebaza
      • [Pw_forum] charge density vizualization using xcrysden   Joshua Davis
      • [Pw_forum] charge density vizualization using xcrysden   Joshua Davis
• [Pw_forum] Effective masses of electrons and holes   Ullah, Habib
• [Pw_forum] Fwd: problems computing cholesky   Amreen Bano
• [Pw_forum] virtual.x incompatible with UPF version   Wangwei Lan
• [Pw_forum] QHA error   Abolore Musari
• [Pw_forum] Emission spectrum in quantum espresso   Winfred Mulwa
  • [Pw_forum] Emission spectrum in quantum espresso   Ullah, Habib
• [Pw_forum] Increasing ecut   Alexandra Davila
  • [Pw_forum] Increasing ecut   Paolo Giannozzi
• [Pw_forum] question about neb.x input parameter   Yu,Yue
  • [Pw_forum] question about neb.x input parameter   Anand Chandra
• [Pw_forum] phonon.x   Winfred Mulwa
• [Pw_forum] error messege igcx   mohammadreza hosseini
  • [Pw_forum] error messege igcx   Paolo Giannozzi
  • [Pw_forum] error messege igcx   mohammadreza hosseini
    • [Pw_forum] error messege igcx   stefano de gironcoli
    • [Pw_forum] error messege igcx   Paolo Giannozzi
• [Pw_forum] x-axis of an emission spectrum   Winfred Mulwa
• [Pw_forum] controlling output   Murray Daw
  • [Pw_forum] controlling output   Paolo Giannozzi
• [Pw_forum] Tutorial: Install QE-GPU binaries in latest ubuntu systems (v. 16.04), Nvidia Cuda 7.5 , Intel MKL and Intel MPI software with NVIDIA cards hardware   Josue Itsman Clavijo Penagos
  • [Pw_forum] Tutorial: Install QE-GPU binaries in latest ubuntu systems (v. 16.04), Nvidia Cuda 7.5 , Intel MKL and Intel MPI software with NVIDIA cards hardware   Rolly Ng
• [Pw_forum] Error has not been solved   mohammadreza hosseini
  • [Pw_forum] Error has not been solved   stefano de gironcoli
    • [Pw_forum] Error has not been solved   Paolo Giannozzi
• [Pw_forum] Negative freuqencies for extrapolating points   Elio Physics
  • [Pw_forum] Negative freuqencies for extrapolating points   Francesco Pelizza
  • [Pw_forum] Negative freuqencies for extrapolating points   Paolo Giannozzi
    • [Pw_forum] Negative freuqencies for extrapolating points   Elio Physics
• [Pw_forum] Ti4+ Pseudopotential   Manu Hegde
  • [Pw_forum] Ti4+ Pseudopotential   Manu Hegde
    • [Pw_forum] Ti4+ Pseudopotential   Thomas Brumme
      • [Pw_forum] Ti4+ Pseudopotential   Paolo Giannozzi
      • [Pw_forum] Ti4+ Pseudopotential   Manu Hegde
      • [Pw_forum] Ti4+ Pseudopotential   Thomas Brumme
      • [Pw_forum] Ti4+ Pseudopotential   Manu Hegde
• [Pw_forum] Training   systechno at yahoo.com
• [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   Filippo SPIGA
  • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   Ye Luo
    • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   nicola varini
      • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   Ye Luo
    • [Pw_forum] [Q-e-developers] Availability beta version of Quantum ESPRESSO v6.0   Filippo Spiga
      • [Pw_forum] [Q-e-developers] Availability beta version of Quantum ESPRESSO v6.0   Ye Luo
    • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   Paolo Giannozzi
    • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   nicola varini
      • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   Ye Luo
      • [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0   Filippo SPIGA
• [Pw_forum] Anyone running on a SPARC64 architecture?   Filippo SPIGA
  • [Pw_forum] Anyone running on a SPARC64 architecture?   MitsuakiKawamura
    • [Pw_forum] Anyone running on a SPARC64 architecture?   Filippo SPIGA
      • [Pw_forum] Anyone running on a SPARC64 architecture?   MitsuakiKawamura
• [Pw_forum] Installation error in EPW with QE-6.0-Beta version   Kondaiah Samudrala
  • [Pw_forum] Installation error in EPW with QE-6.0-Beta version   Filippo SPIGA
  • [Pw_forum] Installation error in EPW with QE-6.0-Beta version   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 109, Issue 29   mohammadreza hosseini
• [Pw_forum] Installation of QE   Yu, Tao
  • [Pw_forum] Installation of QE   Stefano de Gironcoli
• [Pw_forum] Pw_forum Digest, Vol 109, Issue 25   al ahmed
• [Pw_forum] Band Despression   Santosh Chiniwar
  • [Pw_forum] Band Despression   Dae Kwang Jun
    • [Pw_forum] Band Despression   Manu Hegde
• [Pw_forum] Total energy of solvated molecules   Robert Wexler
• [Pw_forum] pwscf could not find wavefunction   Jia Chen
  • [Pw_forum] pwscf could not find wavefunction   Paolo Giannozzi
    • [Pw_forum] pwscf could not find wavefunction   Jia Chen
• [Pw_forum] ZGEMM or MATMUL for MPI environment   Ilya Ryabinkin
  • [Pw_forum] ZGEMM or MATMUL for MPI environment   Paolo Giannozzi
    • [Pw_forum] ZGEMM or MATMUL for MPI environment   Ilya Ryabinkin
      • [Pw_forum] ZGEMM or MATMUL for MPI environment   Paolo Giannozzi
      • [Pw_forum] ZGEMM or MATMUL for MPI environment   Ilya Ryabinkin
      • [Pw_forum] ZGEMM or MATMUL for MPI environment   Paolo Giannozzi

Last message date: Wed Aug 31 22:41:29 CEST 2016
Archived on: Wed Feb 28 11:16:19 CET 2018

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