July 2017 Archives by thread

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Starting: Sat Jul 1 08:55:53 CEST 2017
Ending: Mon Jul 31 17:33:43 CEST 2017
Messages: 347

• [Pw_forum] Need help in spin polarized calculations   sayan chaudhuri
  • [Pw_forum] Need help in spin polarized calculations   Mostafa Youssef
    • [Pw_forum] Need help in spin polarized calculations   sayan chaudhuri
      • [Pw_forum] Need help in spin polarized calculations   sayan chaudhuri
  • [Pw_forum] Need help in spin polarized calculations   Mostafa Youssef
    • [Pw_forum] Need help in spin polarized calculations   sayan chaudhuri
• [Pw_forum] Regarding error during adsorption of bromine in graphene   nipesh dulal
  • [Pw_forum] Regarding error during adsorption of bromine in graphene   Lorenzo Paulatto
    • [Pw_forum] Regarding error during adsorption of bromine in graphene   nipesh dulal
• [Pw_forum] Neb restart   Alexandra Davila
• [Pw_forum] QE 6.1 Error   Manu Hegde
  • [Pw_forum] QE 6.1 Error   Paolo Giannozzi
• [Pw_forum] Simple question on vc-relax   Pablo García Risueño
  • [Pw_forum] Simple question on vc-relax   Jia Chen
• [Pw_forum] (no subject)   VineetKumar Pandey
  • [Pw_forum] (no subject)   Giovanni Cantele
  • [Pw_forum] (no subject)   Thomas Brumme
    • [Pw_forum] (no subject)   VineetKumar Pandey
      • [Pw_forum] (no subject)   Paolo Giannozzi
  • [Pw_forum] (no subject)   Rita Maji
    • [Pw_forum] (no subject)   Paolo Giannozzi
      • [Pw_forum] (no subject)   Rita Maji
      • [Pw_forum] (no subject)   Nick Wilson
  • [Pw_forum] (no subject)   Shishir Timilsena
  • [Pw_forum] (no subject)   Shishir Timilsena
    • [Pw_forum] (no subject)   Rajesh
      • [Pw_forum] (no subject)   Shishir Timilsena
      • [Pw_forum] (no subject)   Rajesh
      • [Pw_forum] (no subject)   Shishir Timilsena
      • [Pw_forum] (no subject)   Rajesh
      • [Pw_forum] (no subject)   Shishir Timilsena
      • [Pw_forum] (no subject)   Rajesh
      • [Pw_forum] (no subject)   Shishir Timilsena
      • [Pw_forum] (no subject)   Rajesh
      • [Pw_forum] (no subject)   Titusi Forum
      • [Pw_forum] (no subject)   Isaiah Moses
      • [Pw_forum] (no subject)   Titusi Forum
      • [Pw_forum] (no subject)   Isaiah Moses
      • [Pw_forum] (no subject)   Titusi Forum
      • [Pw_forum] (no subject)   Isaiah Moses
      • [Pw_forum] (no subject)   Titusi Forum
  • [Pw_forum] (no subject)   VineetKumar Pandey
  • [Pw_forum] (no subject)   Shishir Timilsena
    • [Pw_forum] (no subject)   Rajesh
      • [Pw_forum] (no subject)   Sonu Kumar
• [Pw_forum] nscf related problem   Anindya Bose
  • [Pw_forum] nscf related problem   Lorenzo Paulatto
• [Pw_forum] Water confinement   Ubaid Mohd
• [Pw_forum] GW for graphene   Andrea Pedrielli
• [Pw_forum] Comparison of total energies   Chukwuemeka Okoye
  • [Pw_forum] Comparison of total energies   Chukwuemeka Okoye
    • [Pw_forum] Comparison of total energies   Nicola Marzari
      • [Pw_forum] Comparison of total energies   Chukwuemeka Okoye
      • [Pw_forum] Comparison of total energies   Nicola Marzari
      • [Pw_forum] Comparison of total energies   Chukwuemeka Okoye
• [Pw_forum] New pre-production GPU-accelerated Quantum ESPRESSO available (v0.2)   Filippo Spiga
• [Pw_forum] Quantum Espresso   Ubaid Mohd
  • [Pw_forum] Quantum Espresso   Andrey Chibisov
    • [Pw_forum] Quantum Espresso   Ubaid Mohd
    • [Pw_forum] Quantum Espresso   Nicola Marzari
      • [Pw_forum] Quantum Espresso   Ubaid Mohd
      • [Pw_forum] Quantum Espresso   Biswajit Santra
      • [Pw_forum] Quantum Espresso   Ubaid Mohd
  • [Pw_forum] Quantum Espresso   Shishir Timilsena
    • [Pw_forum] Quantum Espresso   Giovanni Cantele
      • [Pw_forum] Quantum Espresso   Shishir Timilsena
      • [Pw_forum] Quantum Espresso   Pascal Boulet
      • [Pw_forum] Quantum Espresso   Pascal Boulet
• [Pw_forum] complex bandstructure in silicon nanowire   Anindya Bose
• [Pw_forum] Error while running the code on HPC cluster   dkartik
  • [Pw_forum] Error while running the code on HPC cluster   Paolo Giannozzi
• [Pw_forum] Supercell calculation takes a very long time   Afshin Arjangmehr
• [Pw_forum] Quantum Espresso Pseudopotential Plot   Aditya Vishwakarma
• [Pw_forum] Heat capacity at constant pressure   Abolore Musari
  • [Pw_forum] Heat capacity at constant pressure   Abolore Musari
  • [Pw_forum] Heat capacity at constant pressure   Abolore Musari
• [Pw_forum] scf calculation for Cr_2O_3   y.satono.851
• [Pw_forum] Relaxation of florine adsorption in graphene sheet   nipesh dulal
  • [Pw_forum] Relaxation of florine adsorption in graphene sheet   Yasser Fowad AlWahedi
    • [Pw_forum] Relaxation of florine adsorption in graphene sheet   nipesh dulal
• [Pw_forum] q-grid   ashkan shekaari
  • [Pw_forum] q-grid   Lorenzo Paulatto
• [Pw_forum] Allowed symmetries in GIPAW   J. Nelson
  • [Pw_forum] Allowed symmetries in GIPAW   Davide Ceresoli
    • [Pw_forum] Allowed symmetries in GIPAW   J. Nelson
      • [Pw_forum] Allowed symmetries in GIPAW   Davide Ceresoli
• [Pw_forum] Fermi level related query   Anindya Bose
• [Pw_forum] Dead Link on Webpage Concerning Parallel Performance   Robert Molt
  • [Pw_forum] Dead Link on Webpage Concerning Parallel Performance   Paolo Giannozzi
• [Pw_forum] weekly snapshots   Mahmoud Payami Shabestari
  • [Pw_forum] weekly snapshots   Paolo Giannozzi
    • [Pw_forum] weekly snapshots   Mahmoud Payami Shabestari
      • [Pw_forum] weekly snapshots   Paolo Giannozzi
      • [Pw_forum] weekly snapshots   Mahmoud Payami Shabestari
• [Pw_forum] effective mass calculation (using emc.py and QE_to_VASP)   Christoph Wolf(신소재공학과)
• [Pw_forum] Confusion about silicon phonon dispersion along K-X path   balabi
  • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   Nicola Marzari
  • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   Suza W
    • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   Nicola Marzari
  • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   balabi
    • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   stefano de gironcoli
      • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   stefano de gironcoli
  • [Pw_forum] Confusion about silicon phonon dispersion along K-X path   balabi
• [Pw_forum] Input file description for gipaw   李培
• [Pw_forum] Running ph.x using the grid method   Davide Sangalli
• [Pw_forum] Proper Symmetry Representation   Dr. Robert Molt Jr.
• [Pw_forum] Use of mixing_beta   Dr. Robert Molt Jr.
• [Pw_forum] QE   Shishir Timilsena
  • [Pw_forum] QE   Giovanni Cantele
    • [Pw_forum] QE   Shishir Timilsena
      • [Pw_forum] QE   Giovanni Cantele
      • [Pw_forum] QE   Shishir Timilsena
      • [Pw_forum] QE   Giovanni Cantele
• [Pw_forum] charged vancies and image coulomb interaction   azurebayer
• [Pw_forum] bands   Uttam Paliwal
  • [Pw_forum] bands   Giovanni Cantele
    • [Pw_forum] bands   Uttam Paliwal
      • [Pw_forum] bands   Giovanni Cantele
      • [Pw_forum] bands   Uttam Paliwal
      • [Pw_forum] bands   Giovanni Cantele
      • [Pw_forum] bands   Uttam Paliwal
• [Pw_forum] computation time of addusdens subroutine   Junfeng Qiao
  • [Pw_forum] computation time of addusdens subroutine   stefano de gironcoli
    • [Pw_forum] computation time of addusdens subroutine   Junfeng Qiao
  • [Pw_forum] computation time of addusdens subroutine   Paolo Giannozzi
• [Pw_forum] Phonon Calculations Error   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] is there any correction needed ?? any changes can be done for the fast calculation of relax ???   Giovanni Cantele
• [Pw_forum] GIPAW acceleration   Yasser Fowad AlWahedi
  • [Pw_forum] GIPAW acceleration   Davide Ceresoli
    • [Pw_forum] GIPAW acceleration   Yasser Fowad AlWahedi
      • [Pw_forum] GIPAW acceleration   Davide Ceresoli
      • [Pw_forum] GIPAW acceleration   Yasser Fowad AlWahedi
      • [Pw_forum] GIPAW acceleration   Davide Ceresoli
• [Pw_forum] GPU   ashkan shekaari
  • [Pw_forum] GPU   Yasser Fowad AlWahedi
    • [Pw_forum] GPU   ashkan shekaari
• [Pw_forum] Quantum Espresso related error   Anindya Bose
• [Pw_forum] Documentation on Pseudopotentials   Robert Molt
  • [Pw_forum] Documentation on Pseudopotentials   Arles V. Gil Rebaza
• [Pw_forum] regarding memory not allocate error in scf cycle   nipesh dulal
• [Pw_forum] CPMD runs only on gamma point   Raj kamal
• [Pw_forum] The element involved in the stability of a material   Omamuyovwi Akemu
• [Pw_forum] Dear pw_forum members   Rajesh
• [Pw_forum] Error in lambda.x run   Isaiah Moses
  • [Pw_forum] Fwd: Error in lambda.x run   Isaiah Moses
    • [Pw_forum] Fwd: Error in lambda.x run   Giovanni Cantele
      • [Pw_forum] Fwd: Error in lambda.x run   Isaiah Moses
      • [Pw_forum] Fwd: Error in lambda.x run   Giovanni Cantele
      • [Pw_forum] Fwd: Error in lambda.x run   Isaiah Moses
      • [Pw_forum] Fwd: Error in lambda.x run   Lorenzo Paulatto
      • [Pw_forum] Fwd: Error in lambda.x run   Isaiah Moses
      • [Pw_forum] Fwd: Fwd: Error in lambda.x run   Isaiah Moses
      • [Pw_forum] Fwd: Fwd: Error in lambda.x run   Isaiah Moses
      • [Pw_forum] Fwd: Error in lambda.x run   Lorenzo Paulatto
      • [Pw_forum] Fwd: Error in lambda.x run   Isaiah Moses
• [Pw_forum] Namelist error   Dive, Aniruddha Mukund
• [Pw_forum] Band parallelization of EXX ACE in QE 6.1   WF
  • [Pw_forum] Band parallelization of EXX ACE in QE 6.1   Paolo Giannozzi
  • [Pw_forum] Band parallelization of EXX ACE in QE 6.1   WF
• [Pw_forum] No symmetry found in "nscf" calculation   Guda Karthik
• [Pw_forum] Convergence not achieved   dkartik
• [Pw_forum] Simulation Stops in the middle without any error.   Rajesh
  • [Pw_forum] Simulation Stops in the middle without any error.   Lorenzo Paulatto
    • [Pw_forum] Simulation Stops in the middle without any error.   Rajesh
      • [Pw_forum] Simulation Stops in the middle without any error.   Rajesh
      • [Pw_forum] Simulation Stops in the middle without any error.   GAUTAM SHARMA
      • [Pw_forum] Simulation Stops in the middle without any error.   Rajesh
      • [Pw_forum] Simulation Stops in the middle without any error.   GAUTAM SHARMA
• [Pw_forum] Error in routine ggen (72450):   Omar FAYE
• [Pw_forum] PW/tools/kpoints.f90 Modified for Negative ibrav   Isaiah Moses
  • [Pw_forum] Fwd: PW/tools/kpoints.f90 Modified for Negative ibrav   Isaiah Moses
• [Pw_forum] MoO3 input file   hamed asadi
  • [Pw_forum] MoO3 input file   Rajesh
• [Pw_forum] MaX Prize Call is open!   Andrea Ferretti
• [Pw_forum] estimating memory usage for vc-relax calculations   Mohammadreza Karamad
• [Pw_forum] Using Quantum Espresso on Cloud Supercomputers   Titusi Forum
  • [Pw_forum] Using Quantum Espresso on Cloud Supercomputers   Titusi Forum
• [Pw_forum] Properly instructing ./configure to locate external libraries   Aldo Ugolotti
  • [Pw_forum] Properly instructing ./configure to locate external libraries   Lorenzo Paulatto
    • [Pw_forum] Properly instructing ./configure to locate external libraries   Aldo Ugolotti
• [Pw_forum] Background correction for charged calculations   Manoar Hossain
  • [Pw_forum] Background correction for charged calculations   Lorenzo Paulatto
    • [Pw_forum] Background correction for charged calculations   Marton
• [Pw_forum] MoO3 input   hamed asadi
  • [Pw_forum] MoO3 input   Michael Mehl
  • [Pw_forum] MoO3 input   hamed asadi
    • [Pw_forum] MoO3 input   Giovanni Cantele
• [Pw_forum] Kogence with USPEX simulator   Mohammed Khalafalla
  • [Pw_forum] Kogence with USPEX simulator   Titusi Forum
• [Pw_forum] Regarding degauss and mixing beta   nipesh dulal
• [Pw_forum] Errors in PS-PK equation   黄志硕
  • [Pw_forum] Errors in PS-PK equation   Lorenzo Paulatto
• [Pw_forum] Alternative to Xcrysden   Rajesh
  • [Pw_forum] Alternative to Xcrysden   Manu Hegde
    • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Manu Hegde
  • [Pw_forum] Alternative to Xcrysden   Matic Poberznik
    • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Afshin Arjangmehr
      • [Pw_forum] Alternative to Xcrysden   Matic Poberznik
      • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Matic Poberznik
      • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Matic Poberžnik
      • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Matic Poberžnik
      • [Pw_forum] Alternative to Xcrysden   Yue-Wen Fang
      • [Pw_forum] Alternative to Xcrysden   Rajesh
      • [Pw_forum] Alternative to Xcrysden   Yue-Wen Fang
      • [Pw_forum] Alternative to Xcrysden   Rajesh
• [Pw_forum] Negative frequencies in proximity to the Gamma point problem   Mohammad Alidoosti
  • [Pw_forum] Negative frequencies in proximity to the Gamma point problem   Arles V. Gil Rebaza
    • [Pw_forum] Negative frequencies in proximity to the Gamma point problem   Isaiah Moses
  • [Pw_forum] Negative frequencies in proximity to the Gamma point problem   Bahadır SALMANKURT
• [Pw_forum] Periodic Boundary Condition in PW   Rajesh
  • [Pw_forum] Periodic Boundary Condition in PW   stefano de gironcoli
    • [Pw_forum] Periodic Boundary Condition in PW   Rajesh
      • [Pw_forum] Periodic Boundary Condition in PW   stefano de gironcoli
      • [Pw_forum] Periodic Boundary Condition in PW   Ubaid Mohd
      • [Pw_forum] Periodic Boundary Condition in PW   Rajesh
• [Pw_forum] Query regarding vdW Griemme Correction   shashi bhusan mishra
  • [Pw_forum] Query regarding vdW Griemme Correction   Giuseppe Mattioli
• [Pw_forum] Magnetic moment of Hydrogen   Rajesh
  • [Pw_forum] Magnetic moment of Hydrogen   stefano de gironcoli
    • [Pw_forum] Magnetic moment of Hydrogen   Rajesh
• [Pw_forum] about Vanderbilt uspp   Yue-Wen Fang
  • [Pw_forum] about Vanderbilt uspp   Sonu Kumar
    • [Pw_forum] about Vanderbilt uspp   Yue-Wen Fang
• [Pw_forum] Nose-Hoover thermostat in MD in pw.x   Uri Argaman
• [Pw_forum] Relax or vc-relax   Rajesh
  • [Pw_forum] Relax or vc-relax   Sonu Kumar
    • [Pw_forum] Relax or vc-relax   Rajesh
      • [Pw_forum] Relax or vc-relax   Ari P Seitsonen
• [Pw_forum] How to create Vacuum   Rajesh
  • [Pw_forum] How to create Vacuum   大谷実
    • [Pw_forum] How to create Vacuum   Rajesh
  • [Pw_forum] How to create Vacuum   Eduardo Menendez
    • [Pw_forum] How to create Vacuum   Rajesh
    • [Pw_forum] How to create Vacuum   Robert Molt
    • [Pw_forum] How to create Vacuum   大谷実
  • [Pw_forum] How to create vacuum   Omamuyovwi Akemu
• [Pw_forum] electron-phonon calculation   Nadeem Natt
  • [Pw_forum] electron-phonon calculation   Isaiah Moses
  • [Pw_forum] electron-phonon calculation   Sonu Kumar
• [Pw_forum] Eigenvectors Exchange Needed in Phonon output   GAUTAM SHARMA
• [Pw_forum] Memory shortage   Masoud Rahbar
  • [Pw_forum] Memory shortage   Nicola Marzari
• [Pw_forum] Positron lifetime and momentum distribution calculations in QE   Anurag Vohra
• [Pw_forum] vc-relax & cell_dofree   BARRETEAU Cyrille
  • [Pw_forum] vc-relax & cell_dofree   Thomas Brumme
    • [Pw_forum] vc-relax & cell_dofree   BARRETEAU Cyrille
      • [Pw_forum] vc-relax & cell_dofree   Dr. Thomas Brumme
      • [Pw_forum] vc-relax & cell_dofree   Paolo Giannozzi
      • [Pw_forum] vc-relax & cell_dofree   BARRETEAU Cyrille
• [Pw_forum] Supercell for fcc lattice (ibrav=2)   Uttam Paliwal
  • [Pw_forum] Supercell for fcc lattice (ibrav=2)   Jess Wellendorff
    • [Pw_forum] Supercell for fcc lattice (ibrav=2)   Thomas Brumme
• [Pw_forum] Bader analysis: CRITIC2   Ankit Jain
  • [Pw_forum] Bader analysis: CRITIC2   Alberto Otero de la Roza
    • [Pw_forum] Bader analysis: CRITIC2   Ankit Jain
• [Pw_forum] slight difference between GRID and non-GRID phonon calculations   J. Park
• [Pw_forum] ESM method   Rajesh
  • [Pw_forum] ESM method   大谷実
    • [Pw_forum] ESM method   Rajesh
      • [Pw_forum] ESM method   大谷実
• [Pw_forum] data-file.xml is replaced by data-file-schema.xml in develop version   balabi
  • [Pw_forum] data-file.xml is replaced by data-file-schema.xml in develop version   Paolo Giannozzi
  • [Pw_forum] data-file.xml is replaced by data-file-schema.xml in develop version   balabi
    • [Pw_forum] data-file.xml is replaced by data-file-schema.xml in develop version   Pietro Delugas
  • [Pw_forum] data-file.xml is replaced by data-file-schema.xml in develop version   balabi
• [Pw_forum] Access Charge Value   Rajesh
  • [Pw_forum] Access Charge Value   Lorenzo Paulatto
    • [Pw_forum] Access Charge Value   Rajesh
• [Pw_forum] electron-phonon calculation stucks   Nadeem Natt
  • [Pw_forum] electron-phonon calculation stucks   Isaiah Moses
    • [Pw_forum] electron-phonon calculation stucks   Nadeem Natt
• [Pw_forum] Difference in band lines.   Naseem Hassan
  • [Pw_forum] Difference in band lines.   Nadeem Natt
• [Pw_forum] Doubt for plotting bandgap with ibrav=0   Jane Fernandez
• [Pw_forum] valence configuration of Co psp   毛飞
  • [Pw_forum] valence configuration of Co psp   Jia Chen
    • [Pw_forum] valence configuration of Co psp   毛飞
      • [Pw_forum] valence configuration of Co psp   Paolo Giannozzi
• [Pw_forum] Error in routine   Ubaid Mohd
  • [Pw_forum] Error in routine   Giovanni Cantele
    • [Pw_forum] Error in routine   Ubaid Mohd
      • [Pw_forum] Error in routine   Giovanni Cantele
      • [Pw_forum] Error in routine   Ubaid Mohd
      • [Pw_forum] Error in routine   Giovanni Cantele
      • [Pw_forum] Error in routine   Ubaid Mohd
      • [Pw_forum] Error in routine   Ubaid Mohd
      • [Pw_forum] Error in routine   Nicola Marzari
• [Pw_forum] Query about celldm(3)   Anindya Bose
  • [Pw_forum] Query about celldm(3)   GAUTAM SHARMA
    • [Pw_forum] Query about celldm(3)   GAUTAM SHARMA
• [Pw_forum] QE 6.1 and HSE: change algorithm from ACE   Christoph Wolf(신소재공학과)
  • [Pw_forum] QE 6.1 and HSE: change algorithm from ACE   Paolo Giannozzi
• [Pw_forum] Strange Values of Tc   Isaiah Moses
  • [Pw_forum] Strange Values of Tc   Isaiah Moses
    • [Pw_forum] Strange Values of Tc   Giovanni Cantele
      • [Pw_forum] Strange Values of Tc   Isaiah Moses
      • [Pw_forum] Strange Values of Tc   Isaiah Moses
      • [Pw_forum] Strange Values of Tc   Lorenzo Paulatto
      • [Pw_forum] Strange Values of Tc   Isaiah Moses
  • [Pw_forum] Strange values of Tc   Isaiah Moses
    • [Pw_forum] Strange values of Tc   Giovanni Cantele
      • [Pw_forum] Strange values of Tc   Isaiah Moses
  • [Pw_forum] Strange Values of Tc   Warren Pickett
    • [Pw_forum] Strange Values of Tc   Isaiah Moses
• [Pw_forum] query   Pietro Delugas
• [Pw_forum] PAW pseudo for vanadium   Mohammadreza Hosseini
  • [Pw_forum] PAW pseudo for vanadium   Federico Iori
• [Pw_forum] Relax keeping orthogonality   elchatz at auth.gr
  • [Pw_forum] Relax keeping orthogonality   Lorenzo Paulatto
    • [Pw_forum] Relax keeping orthogonality   Lorenzo Paulatto
• [Pw_forum] Lattice Constant of ESM Slab   Dr. Robert Molt Jr.
  • [Pw_forum] Lattice Constant of ESM Slab   Dr. Robert Molt Jr.
  • [Pw_forum] Lattice Constant of ESM Slab   Minoru Otani
• [Pw_forum] "Centering" Requirement of ESM   Dr. Robert Molt Jr.
  • [Pw_forum] "Centering" Requirement of ESM   Lorenzo Paulatto
    • [Pw_forum] "Centering" Requirement of ESM   大谷実
      • [Pw_forum] "Centering" Requirement of ESM   Robert Molt
      • [Pw_forum] "Centering" Requirement of ESM   Minoru Otani
      • [Pw_forum] "Centering" Requirement of ESM   Lorenzo Paulatto
• [Pw_forum] Qe-6.1 giving different energy values on different PCs   Rajesh
  • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Lorenzo Paulatto
    • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Rajesh
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Lorenzo Paulatto
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Rajesh
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Paolo Giannozzi
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Paolo Giannozzi
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Rajesh
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Paolo Giannozzi
      • [Pw_forum] Qe-6.1 giving different energy values on different PCs   Rajesh
• [Pw_forum] phonon accuracy and ecutrho for ultrasoft pseudopotential   balabi
  • [Pw_forum] phonon accuracy and ecutrho for ultrasoft pseudopotential   Nicola Marzari
• [Pw_forum] shifting of zero point   Md. Masud Rana
• [Pw_forum] Phonon-calculation   surender at iitk.ac.in
  • [Pw_forum] Phonon-calculation   Paolo Giannozzi
• [Pw_forum] electron-phonon   Nadeem Natt
• [Pw_forum] B3LYP - (k+q) points   Alexandra Davila
  • [Pw_forum] B3LYP - (k+q) points   Lorenzo Paulatto
• [Pw_forum] spin-dependent electron-phonon coefficients   Małgorzata Wawrzyniak-Adamczewska
  • [Pw_forum] spin-dependent electron-phonon coefficients   Małgorzata Wawrzyniak-Adamczewska
• [Pw_forum] How to get absorption coefficient   LEUNG Clarence
  • [Pw_forum] How to get absorption coefficient   Timrov Iurii

Last message date: Mon Jul 31 17:33:43 CEST 2017
Archived on: Wed Feb 28 11:16:24 CET 2018

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