October 2011 Archives by author

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Starting: Sat Oct 1 11:54:41 CEST 2011
Ending: Mon Oct 31 21:40:37 CET 2011
Messages: 323

• [Pw_forum] Re : error band structure of ZnO   A.ouahab
• [Pw_forum] Problem -   Ali ALLAM
• [Pw_forum] Ali - Problem - nscf - c_bands: eigenvalues not converged   Ali ALLAM
• [Pw_forum] Problem with Raman and Infrared Active Modes   Martin Andersson
• [Pw_forum] diffusion constants and refolded positions   Martin Andersson
• [Pw_forum] electron-phonon coupling tutorial   Hua Bao
• [Pw_forum] electron-phonon coupling tutorial   Hua Bao
• [Pw_forum] Problem with Raman and Infrared Active Modes   Stefano Baroni
• [Pw_forum] compilation QHA code   Stefano Baroni
• [Pw_forum] Piezoelectric Response   Stefano Baroni
• [Pw_forum] PW for hybrid CPU/GPU systems   Stefano Baroni
• [Pw_forum] Re : error band structure of ZnO   Stefano Baroni
• [Pw_forum] convergence   Stefano Baroni
• [Pw_forum] Binding energy of Cu at CNT   Stefano Baroni
• [Pw_forum] Binding energy of Cu at CNT   Stefano Baroni
• [Pw_forum] Binding energy of Cu at CNT   Stefano Baroni
• [Pw_forum] QE interface to DP code   Stefano Baroni
• [Pw_forum] Open postdoctoral position in computational molecular modelling for geochemical applications   Marc Blanchard
• [Pw_forum] Fermi energy from scf calculation   Tram Bui
• [Pw_forum] problem in xspectra calculations   Matteo Calandra
• [Pw_forum] GIPAW: error in output   Davide Ceresoli
• [Pw_forum] Problem with Raman and Infrared Active Modes   Andrea Dal Corso
• [Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations   Andrea Dal Corso
• [Pw_forum] RE : how to calculate magnetic moment on each atoms   BARRETEAU Cyrille
• [Pw_forum] RE : problem   BARRETEAU Cyrille
• [Pw_forum] Questions about band calculation   Richard Dong
• [Pw_forum] from expint : error # 1, continued fraction failed   Jonathan DuBois
• [Pw_forum] images and pools   Charlie Eppes
• [Pw_forum] general question on openMP   Giovani Faccin
• [Pw_forum] nspin=1 in NEB calculation   Guido Fratesi
• [Pw_forum] A Question about ILDOS on different planes   Guido Fratesi
• [Pw_forum] nspin=1 in NEB calculation   Guido Fratesi
• [Pw_forum] Issue with phonon calculation on supercell.   Éric Germaneau
• [Pw_forum] Issue with phonon calculation on supercell.   Éric Germaneau
• [Pw_forum] Issue with phonon calculation on supercell.   Éric Germaneau
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   Éric Germaneau
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   Éric Germaneau
• [Pw_forum] Issue with phonon calculation on supercell.   Éric Germaneau
• [Pw_forum] iotk error   Éric Germaneau
• [Pw_forum] which criterion does not meet during relax progresss   Éric Germaneau
• [Pw_forum] Issue with phonon calculation on supercell.   Éric Germaneau
• [Pw_forum] iotk error   Éric Germaneau
• [Pw_forum] iotk error   Éric Germaneau
• [Pw_forum] iotk error   Éric Germaneau
• [Pw_forum] GPU enabled QE for 64 bit architecture ?   Éric Germaneau
• [Pw_forum] qdel cann't kill the job.   Éric Germaneau
• [Pw_forum] iotk error   Éric Germaneau
• [Pw_forum] images and pools   Paolo Giannozzi
• [Pw_forum] projwfc.x error   Paolo Giannozzi
• [Pw_forum] problem with ibrav = -12   Paolo Giannozzi
• [Pw_forum] problem in vc-relax   Paolo Giannozzi
• [Pw_forum] problem in vc-relax   Paolo Giannozzi
• [Pw_forum] problem in vc-relax   Paolo Giannozzi
• [Pw_forum] problem in vc-relax   Paolo Giannozzi
• [Pw_forum] molecule raman tensor calculation meet error   Paolo Giannozzi
• [Pw_forum] problem in vc-relax   Paolo Giannozzi
• [Pw_forum] problems with Fluor pseudopotentials   Paolo Giannozzi
• [Pw_forum] Problem with Raman and Infrared Active Modes   Paolo Giannozzi
• [Pw_forum] problem in xspectra calculations   Paolo Giannozzi
• [Pw_forum] Problem with Raman and Infrared Active Modes   Paolo Giannozzi
• [Pw_forum] input and output of average.x   Paolo Giannozzi
• [Pw_forum] problems with pp.x for parallel processing   Paolo Giannozzi
• [Pw_forum] problems with pp.x for parallel processing   Paolo Giannozzi
• [Pw_forum] problems with pp.x for parallel processing   Paolo Giannozzi
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   Paolo Giannozzi
• [Pw_forum] problem in calculation by 4.2.1 version   Paolo Giannozzi
• [Pw_forum] Compile error when using Cygwin and gfortran 4.7   Paolo Giannozzi
• [Pw_forum] problems with pp.x for parallel processing   Paolo Giannozzi
• [Pw_forum] some suggestions regarding the DFT-D module   Paolo Giannozzi
• [Pw_forum] Phonon Cal for Pnam Space group   Paolo Giannozzi
• [Pw_forum] charge ordered state   Paolo Giannozzi
• [Pw_forum] compilation QHA code   Paolo Giannozzi
• [Pw_forum] ELF error with version 4.3   Paolo Giannozzi
• [Pw_forum] compilation problem   Paolo Giannozzi
• [Pw_forum] iotk error   Paolo Giannozzi
• [Pw_forum] which criterion does not meet during relax progresss   Paolo Giannozzi
• [Pw_forum] general question on openMP   Paolo Giannozzi
• [Pw_forum] Problem -   Paolo Giannozzi
• [Pw_forum] compilation in QHA   Paolo Giannozzi
• [Pw_forum] Phonon calculation for Pnma structure   Paolo Giannozzi
• [Pw_forum] electron-phonon coupling tutorial   Paolo Giannozzi
• [Pw_forum] dist.x utility   Paolo Giannozzi
• [Pw_forum] iotk error   Paolo Giannozzi
• [Pw_forum] problem in xspectra calculations   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 52, Issue 28   Paolo Giannozzi
• [Pw_forum] problem in xspectra calculations   Paolo Giannozzi
• [Pw_forum] Zn NC_PP from qe-forge   Paolo Giannozzi
• [Pw_forum] diffusion constants and refolded positions   Paolo Giannozzi
• [Pw_forum] Cholesky error for SCF calculations after successful relax   Paolo Giannozzi
• [Pw_forum] Request   Paolo Giannozzi
• [Pw_forum] BN polarization   Paolo Giannozzi
• [Pw_forum] from expint : error # 1, continued fraction failed   Paolo Giannozzi
• [Pw_forum] Example07   Paolo Giannozzi
• [Pw_forum] iotk error   Paolo Giannozzi
• [Pw_forum] BN polarization   Paolo Giannozzi
• [Pw_forum] QHA runtime error   Paolo Giannozzi
• [Pw_forum] QHA CODE COMPILATION   Paolo Giannozzi
• [Pw_forum] problems with pp.x for parallel processing   Paolo Giannozzi
• [Pw_forum] error band structure of ZnO   Paolo Giannozzi
• [Pw_forum] normal modes visualization   Paolo Giannozzi
• [Pw_forum] charge density   Paolo Giannozzi
• [Pw_forum] WaveFunctions and eigenvectors   Paolo Giannozzi
• [Pw_forum] Binding energy of Cu at CNT   Paolo Giannozzi
• [Pw_forum] GIPAW: error in output   Paolo Giannozzi
• [Pw_forum] Swapping   Paolo Giannozzi
• [Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations   Paolo Giannozzi
• [Pw_forum] starting charge 209.99992, renormalised to 240.00000   Paolo Giannozzi
• [Pw_forum] Raman spectra calculatio using QE   Paolo Giannozzi
• [Pw_forum] problem in vc-relax   Stefano de Gironcoli
• [Pw_forum] structure oscillating with vc-md   Stefano de Gironcoli
• [Pw_forum] PW for hybrid CPU/GPU systems   Ivan Girotto
• [Pw_forum] Issue with phonon calculation on supercell.   Sanjeev Gupta
• [Pw_forum] working neb example   Hans Horn
• [Pw_forum] nspin=1 in NEB calculation   He Jinghui
• [Pw_forum] nspin=1 in NEB calculation   He Jinghui
• [Pw_forum] problem in xspectra calculations   Niharika Joshi
• [Pw_forum] problem in xspectra calculations   Niharika Joshi
• [Pw_forum] problem in xspectra calculations   Niharika Joshi
• [Pw_forum] problem in xspectra calculations   Niharika Joshi
• [Pw_forum] Request   Thaneshwor Kaloni
• [Pw_forum] USPP pseudopotentials for spin-orbit coupling calculations   Kiss, Ioan
• [Pw_forum] qdel cann't kill the job.   Axel Kohlmeyer
• [Pw_forum] convergence   Axel Kohlmeyer
• [Pw_forum] Running an input file   Emine Kucukbenli
• [Pw_forum] normal modes visualization   Emine Kucukbenli
• [Pw_forum] convergence   Emine Kucukbenli
• [Pw_forum] convergence   Emine Kucukbenli
• [Pw_forum] A problem on GIPAW calculations   Emine Kucukbenli
• [Pw_forum] Graphene input file   Gulcin Kucukdalyan
• [Pw_forum] Running an input file   Gulcin Kucukdalyan
• [Pw_forum] Running an input file   Gulcin Kucukdalyan
• [Pw_forum] Running an input file   Gulcin Kucukdalyan
• [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"   Heather Kulik
• [Pw_forum] problem in vc-relax   Ashish Kumar
• [Pw_forum] GPU enabled QE for 64 bit architecture ?   Sonu Kumar
• [Pw_forum] problem in vc-relax   Alexander G. Kvashnin
• [Pw_forum] problem in vc-relax   Alexander G. Kvashnin
• [Pw_forum] problem in vc-relax   Alexander G. Kvashnin
• [Pw_forum] problem in vc-relax   Alexander G. Kvashnin
• [Pw_forum] working neb example   Changru Ma
• [Pw_forum] server maintenance   Layla Martin-Samos
• [Pw_forum] QE interface to DP code   Layla Martin-Samos
• [Pw_forum] QE interface to DP code   Layla Martin-Samos
• [Pw_forum] Example07   Nicola Marzari
• [Pw_forum] problem in vc-relax   Lars Matthes
• [Pw_forum] Zn NC_PP from qe-forge   Giuseppe Mattioli
• [Pw_forum] Zn NC_PP from qe-forge   Giuseppe Mattioli
• [Pw_forum] normal modes visualization   Giuseppe Mattioli
• [Pw_forum] normal modes visualization   Giuseppe Mattioli
• [Pw_forum] problem in vc-relax   Mike Mehl
• [Pw_forum] Compile error when using Cygwin and gfortran 4.7   Sean Muir
• [Pw_forum] inputfile of magnesium Hydride   Winfred Mulwa
• [Pw_forum] MgH2 (input file)   Winfred Mulwa
• [Pw_forum] (no subject)   PLN Murty
• [Pw_forum] error in vc-relax   Abolore Musari
• [Pw_forum] GIPAW: error in output   Carlo Nervi
• [Pw_forum] GIPAW: error in output   Carlo Nervi
• [Pw_forum] GIPAW: error in output   Carlo Nervi
• [Pw_forum] GIPAW: error in output   Carlo Nervi
• [Pw_forum] Swapping   Carlo Nervi
• [Pw_forum] Swapping   Payam Norouzzadeh
• [Pw_forum] Swapping   Payam Norouzzadeh
• [Pw_forum] some suggestions regarding the DFT-D module   P.Canepa
• [Pw_forum] some suggestions regarding the DFT-D module   P.Canepa
• [Pw_forum] Phonon Cal for Pnam Space group   Pankaj Pankaj
• [Pw_forum] Phonon calculation for Pnma structure   Pankaj Pankaj
• [Pw_forum] Zn NC_PP from qe-forge   William Parker
• [Pw_forum] Zn NC_PP from qe-forge   William Parker
• [Pw_forum] GADGET and PWSCF   Lorenzo Paulatto
• [Pw_forum] iotk error   Lorenzo Paulatto
• [Pw_forum] Graphene input file   Lorenzo Paulatto
• [Pw_forum] MgH2 (input file)   Lorenzo Paulatto
• [Pw_forum] error band structure of ZnO   Lorenzo Paulatto
• [Pw_forum] error band structure of ZnO   Lorenzo Paulatto
• [Pw_forum] GIPAW: error in output   Lorenzo Paulatto
• [Pw_forum] GIPAW: error in output   Lorenzo Paulatto
• [Pw_forum] GIPAW: error in output   Lorenzo Paulatto
• [Pw_forum] error in vc-relax   Lorenzo Paulatto
• [Pw_forum] problems with pp.x for parallel processing   Natalia Pavlenko
• [Pw_forum] problems with pp.x for parallel processing   Natalia Pavlenko
• [Pw_forum] problems with pp.x for parallel processing   Natalia Pavlenko
• [Pw_forum] problems with pp.x for parallel processing   Natalia Pavlenko
• [Pw_forum] problems with pp.x for parallel processing   Natalia Pavlenko
• [Pw_forum] problems with pp.x for parallel processing   Natalia Pavlenko
• [Pw_forum] charge density   Giovanni La Penna
• [Pw_forum] WaveFunctions and eigenvectors   Michele Pisarra
• [Pw_forum] QE interface to DP code   Michele Pisarra
• [Pw_forum] starting charge 209.99992, renormalised to 240.00000   Eduardo Ariel Menendez Proupin
• [Pw_forum] problem in vc-relax   Arles V. Gil Rebaza
• [Pw_forum] how to calculate magnetic moment on each atoms   Arles V. Gil Rebaza
• [Pw_forum] problem   Arles V. Gil Rebaza
• [Pw_forum] qdel cann't kill the job.   Arles V. Gil Rebaza
• [Pw_forum] Zn NC_PP from qe-forge   Nichols A. Romero
• [Pw_forum] Problem with Raman and Infrared Active Modes   HASAN SAHIN
• [Pw_forum] Problem with Raman and Infrared Active Modes   HASAN SAHIN
• [Pw_forum] Problem with Raman and Infrared Active Modes   HASAN SAHIN
• [Pw_forum] QHA runtime error   Seyed Mojtaba Rezaei Sani
• [Pw_forum] QHA runtime error   Seyed Mojtaba Rezaei Sani
• [Pw_forum] Binding energy of Cu at CNT   Nguyen Doan Sau
• [Pw_forum] A Question about ILDOS on different planes   Gabriele Sclauzero
• [Pw_forum] A Question about ILDOS on different planes   Gabriele Sclauzero
• [Pw_forum] input and output of average.x   Gabriele Sclauzero
• [Pw_forum] input and output of average.x   Gabriele Sclauzero
• [Pw_forum] Phonon calculation with hybrids??   Gabriele Sclauzero
• [Pw_forum] Phonon calculation with hybrids??   Gabriele Sclauzero
• [Pw_forum] Swapping   Gabriele Sclauzero
• [Pw_forum] problem in xspectra calculations   Ari P Seitsonen
• [Pw_forum] Upcoming PASI Workshop "Computational Materials Science for Energy Generation and Conversion"   Derek Stewart
• [Pw_forum] CuO bulk Error during compilation   Michael Sullivan
• [Pw_forum] Phonon calculation with hybrids??   Nandan Tandon
• [Pw_forum] Phonon calculation with hybrids??   Nandan Tandon
• [Pw_forum] projwfc.x error   Zhiting Tian
• [Pw_forum] Problem -   Zhiting Tian
• [Pw_forum] structure oscillating with vc-md   Amin Torabi
• [Pw_forum] structure oscillating with vc-md   Amin Torabi
• [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"   Vo, Trinh (388C)
• [Pw_forum] species list in "set_hubbard_l.f90" and "tabd.f90"   Vo, Trinh (388C)
• [Pw_forum] Example07   W2AGZ
• [Pw_forum] c_bands: X eigenvalues not converged   WF
• [Pw_forum] Zn NC_PP from qe-forge   Eric J. Walter
• [Pw_forum] BFGS ionic relax: maximum number of steps?   Xijun Wang
• [Pw_forum] Cholesky error for SCF calculations after successful relax   Jennifer Wohlwend
• [Pw_forum] qdel cann't kill the job.   Hongsheng Zhao
• [Pw_forum] qdel cann't kill the job.   Hongsheng Zhao
• [Pw_forum] qdel cann't kill the job.   Hongsheng Zhao
• [Pw_forum] CuO bulk Error during compilation   GAO Zhe
• [Pw_forum] Can we obtain anharmonic vibration energy from s3.x?   GAO Zhe
• [Pw_forum] problems with pp.x for parallel processing   GAO Zhe
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   GAO Zhe
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   GAO Zhe
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   GAO Zhe
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   GAO Zhe
• [Pw_forum] compilation QHA code   GAO Zhe
• [Pw_forum] Zn NC_PP from qe-forge   GAO Zhe
• [Pw_forum] Partial phonon DOS   GAO Zhe
• [Pw_forum] Raman spectra calculatio using QE   GAO Zhe
• [Pw_forum] Running an input file   Huiqun Zhou
• [Pw_forum] dist.x utility   mohaddeseh abbasnejad
• [Pw_forum] charge density   mohaddeseh abbasnejad
• [Pw_forum] input and output of average.x   mashiat alaaii
• [Pw_forum] input and output of average.x   mashiat alaaii
• [Pw_forum] input and output of average.x   mashiat alaaii
• [Pw_forum] general question on openMP   pascal boulet
• [Pw_forum] problems with Fluor pseudopotentials   valemar at cab.cnea.gov.ar
• [Pw_forum] some suggestions regarding the DFT-D module   pieremanuele canepa
• [Pw_forum] Piezoelectric Response   swapnil chandratre
• [Pw_forum] Piezoelectric Response   swapnil chandratre
• [Pw_forum] BN polarization   swapnil chandratre
• [Pw_forum] BN polarization   swapnil chandratre
• [Pw_forum] BN polarization   swapnil chandratre
• [Pw_forum] Structure Optimization under Sawtooth potential   swapnil chandratre
• [Pw_forum] charge ordered state   hanghui chen
• [Pw_forum] CuO bulk Error during compilation   ambesh dixit
• [Pw_forum] Pw_forum Digest, Vol 52, Issue 3   ambesh dixit
• [Pw_forum] Fermi energy from scf calculation   bamidele ibrahim
• [Pw_forum] molecule raman tensor calculation meet error   jinxi
• [Pw_forum] molecule raman tensor calculation meet error   jinxi
• [Pw_forum] Partial phonon DOS   jayashree.pan at jncasr.ac.in
• [Pw_forum] A problem on GIPAW calculations   scjung at kbsi.re.kr
• [Pw_forum] problem with 4.2.1 version   yaldaa kh
• [Pw_forum] problem in calculation by 4.2.1 version   yaldaa kh
• [Pw_forum] problem   mariam malmir
• [Pw_forum] Pw_forum Digest, Vol 52, Issue 17   mariam malmir
• [Pw_forum] problem   mariam malmir
• [Pw_forum] mariam malmir wants to chat   mariam malmir
• [Pw_forum] problem   mariam malmir
• [Pw_forum] Zn NC_PP from qe-forge   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] normal modes visualization   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] normal modes visualization   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] normal modes visualization   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] problem with ibrav = -12   jose manuel menendez montes
• [Pw_forum] error band structure of ZnO   debbichi mourad
• [Pw_forum] Tr : error band structure of ZnO   debbichi mourad
• [Pw_forum] Tr : Pw_forum Digest, Vol 52, Issue 61   debbichi mourad
• [Pw_forum] input and output of average.x   bramha pandey
• [Pw_forum] Structure Optimization under Sawtooth potential   mohnish pandey
• [Pw_forum] Running an input file   mohnish pandey
• [Pw_forum] Running an input file   mohnish pandey
• [Pw_forum] error band structure of ZnO   mohnish pandey
• [Pw_forum] Tr : Pw_forum Digest, Vol 52, Issue 61   mohnish pandey
• [Pw_forum] how to calculate magnetic moment on each atoms   patriot pershing
• [Pw_forum] how to calculate magnetic moment on each atoms   patriot pershing
• [Pw_forum] RE : how to calculate magnetic moment on each atoms   patriot pershing
• [Pw_forum] ELF error with version 4.3   psavita
• [Pw_forum] Pw_forum Digest, Vol 52, Issue 28   psavita
• [Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?   bhabya sahoo
• [Pw_forum] compilation QHA code   bhabya sahoo
• [Pw_forum] (no subject)   bhabya sahoo
• [Pw_forum] compilation problem   bhabya sahoo
• [Pw_forum] compilation Qha   bhabya sahoo
• [Pw_forum] (no subject)   bhabya sahoo
• [Pw_forum] compilation   bhabya sahoo
• [Pw_forum] compilation in QHA   bhabya sahoo
• [Pw_forum] QHA CODE COMPILATION   bhabya sahoo
• [Pw_forum] themal conductivity   bhabya sahoo
• [Pw_forum] convergence   bhabya sahoo
• [Pw_forum] convergence   bhabya sahoo
• [Pw_forum] convergence   bhabya sahoo
• [Pw_forum] convergence   bhabya sahoo
• [Pw_forum] A Question about ILDOS on different planes   pari shok
• [Pw_forum] A Question about ILDOS on different planes   pari shok
• [Pw_forum] Announcement - PhD IN PHYSICS University of Trieste - a.y. 2011/12   peressi at ts.infn.it
• [Pw_forum] xspectra - spin polarization and core-hole delocalization   maxradin at umich.edu
• [Pw_forum] problem in vc-relax   vkarthik
• [Pw_forum] Raman spectra calculatio using QE   wumindt2
• [Pw_forum] Raman spectra calculatio using QE   wumindt2
• [Pw_forum] Raman spectra calculation using QE   wumindt2
• [Pw_forum] Binding energy of Cu at CNT   chengyu yang
• [Pw_forum] Binding energy of Cu at CNT   chengyu yang
• [Pw_forum] Binding energy of Cu at CNT   chengyu yang
• [Pw_forum] Binding energy of Cu at CNT   chengyu yang
• [Pw_forum] Binding energy of Cu at CNT   chengyu yang
• [Pw_forum] Binding energy of Cu at CNT   chengyu yang
• [Pw_forum] which criterion does not meet during relax progresss   xu yuehua
• [Pw_forum] Zn NC_PP from qe-forge   之王 改王
• [Pw_forum] Zn NC_PP from qe-forge   之王 改王
• [Pw_forum] Zn NC_PP from qe-forge   之王 改王
• [Pw_forum] Zn NC_PP from qe-forge   之王 改王
• [Pw_forum] Zn NC_PP from qe-forge   之王 改王
• [Pw_forum] Zn NC_PP from qe-forge   之王 改王
• [Pw_forum] 回复： Ali - Problem - nscf - c_bands: eigenvalues not converged   之王 改王
• [Pw_forum] How to obtain the viberating modes from the file *.dyn?   陶鹏
• [Pw_forum] Problem -   陶鹏

Last message date: Mon Oct 31 21:40:37 CET 2011
Archived on: Mon Oct 31 21:38:02 CET 2011

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