June 2014 Archives by subject

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Starting: Sun Jun 1 05:33:02 CEST 2014
Ending: Mon Jun 30 20:21:20 CEST 2014
Messages: 281

• [Pw_forum] "NaN" occupation numbers in el-ph calculation output file   flying_lw at yeah.net
• [Pw_forum] (no subject)   tomy tunde
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Reza Behjatmanesh-Ardakani
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Filippo Spiga
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Reza Behjatmanesh-Ardakani
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Reza Behjatmanesh-Ardakani
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Axel Kohlmeyer
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Reza Behjatmanesh-Ardakani
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Axel Kohlmeyer
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Reza Behjatmanesh-Ardakani
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Axel Kohlmeyer
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   David Foster
• [Pw_forum] A "relax" input runs on CPU (pw.x) but not on CPU-GPU (pw-gpu.x)   Axel Kohlmeyer
• [Pw_forum] about kind of ibrav, cell parameters and thermo_pw.   Mutlu COLAKOGULLARI
• [Pw_forum] about kind of ibrav, cell parameters and thermo_pw.   Paolo Giannozzi
• [Pw_forum] about kind of ibrav, cell parameters and thermo_pw.   Andrea Dal Corso
• [Pw_forum] Anatase ibrav regarding   Suresh A
• [Pw_forum] ARPES study of topological insulators using XSpectra   koushik pal
• [Pw_forum] ARPES study of topological insulators using XSpectra   Giuseppe Mattioli
• [Pw_forum] calculation of lifetime due to anharmonic 3rd order IFC   Prasad Matukumilli
• [Pw_forum] calculation of lifetime due to anharmonic 3rd order IFC   ankit jain
• [Pw_forum] calculation of lifetime due to anharmonic phonon-phonon interaction with QE software   JAONA RANDRIANALISOA
• [Pw_forum] calculation of lifetime due to anharmonic phonon–phonon interaction with QE software   JAONA RANDRIANALISOA
• [Pw_forum] calculation of lifetime due to anharmonic phonon–phonon interaction with QE software   Sridhar Sadasivam
• [Pw_forum] Cannot relax guanine molecule   Wudmir Rojas
• [Pw_forum] Cannot relax guanine molecule   Paolo Giannozzi
• [Pw_forum] Cannot relax guanine molecule   Wudmir Rojas
• [Pw_forum] Cena   nicola varini
• [Pw_forum] Compiling error in ubuntu   zafar rasheed
• [Pw_forum] Compiling error in ubuntu   Paolo Giannozzi
• [Pw_forum] Compiling error in ubuntu   zafar rasheed
• [Pw_forum] Compiling error in ubuntu   Axel Kohlmeyer
• [Pw_forum] Composition can be replaced by a background charge?   shuai
• [Pw_forum] Composition can be replaced by a background charge?   Stefano Baroni
• [Pw_forum] convergence problem   Pallavi Bothra
• [Pw_forum] convergence problem   H.Y. Geoffrey Tse
• [Pw_forum] CP.x "Mean Square Displacement" units   S. Sanchez
• [Pw_forum] Density of States   Uri Argaman
• [Pw_forum] DFT+U: different oxidation states on the same element (charge ordering)   Mauro Sgroi
• [Pw_forum] DFT+U: different oxidation states on the same element (charge ordering)   Matteo Cococcioni
• [Pw_forum] DFT+U: different oxidation states on the same element (charge ordering)   Mauro Sgroi
• [Pw_forum] DFT+U: different oxidation states on the same element (charge ordering)   Mehmet Topsakal
• [Pw_forum] DFT+U: different oxidation states on the same element (charge ordering)   Mauro Sgroi
• [Pw_forum] different results for electron-phonon calculation for the same q-point   Florian Rittweger
• [Pw_forum] different results for electron-phonon calculation for the same q-point   Paolo Giannozzi
• [Pw_forum] disk_io and related problem   Valentina Cantatore
• [Pw_forum] disk_io and related problem   Paolo Giannozzi
• [Pw_forum] disk_io and related problem   Valentina Cantatore
• [Pw_forum] Do we need to saturate the dangling bonds? and how to add vacuum?   siddheshwar chopra
• [Pw_forum] electron-phonon recovering modus   nicvok
• [Pw_forum] electron-phonon recovering modus   Paolo Giannozzi
• [Pw_forum] Error in routine cdiaghg (3939): S matrix not positive definite   Muhammad Adnan
• [Pw_forum] Error Message: Insufficient Virtual Memory   Ankita Indra
• [Pw_forum] Error Message: Insufficient Virtual Memory   Paolo Giannozzi
• [Pw_forum] Error Message: Insufficient Virtual Memory   Ankita Indra
• [Pw_forum] error when executing q2r.x   Elio Physics
• [Pw_forum] error when executing q2r.x   Elio Physics
• [Pw_forum] etot_conv_thr and forc_conv_thr unit   toufik esssakhri
• [Pw_forum] etot_conv_thr and forc_conv_thr unit   Lorenzo Paulatto
• [Pw_forum] etot_conv_thr and forc_conv_thr unit   toufik esssakhri
• [Pw_forum] exited signal p (killed)   toufik esssakhri
• [Pw_forum] Fermi Energy and DOS   Mitul Mundra
• [Pw_forum] Fermi Energy and DOS   Paolo Giannozzi
• [Pw_forum] Finite Difference in PHonon   weeliat
• [Pw_forum] Full LDA+U calculation on orbitals with different orbital angular momentum l   simone marocchi
• [Pw_forum] Fwd: Full LDA+U calculation on orbitals with different orbital angular momentum l   simone marocchi
• [Pw_forum] Fwd: Full LDA+U calculation on orbitals with different orbital angular momentum l   Giuseppe Mattioli
• [Pw_forum] Fwd: Full LDA+U calculation on orbitals with different orbital angular momentum l   Matteo Cococcioni
• [Pw_forum] Fwd: Full LDA+U calculation on orbitals with different orbital angular momentum l   Mehmet Topsakal
• [Pw_forum] Fwd: Full LDA+U calculation on orbitals with different orbital angular momentum l   Suza W
• [Pw_forum] Fwd: Re: Re: GIPAW memory problem?   Aleksander Jaworski
• [Pw_forum] Fwd: Re: Re: GIPAW memory problem?   Paolo Giannozzi
• [Pw_forum] Fwd: Re: Re: GIPAW memory problem?   Davide Ceresoli
• [Pw_forum] Fwd: Re: Re: GIPAW memory problem?   Davide Ceresoli
• [Pw_forum] GaAs: band gap with HSE is too large   Jerónimo Peralta
• [Pw_forum] GaAs: band gap with HSE is too large   Andrea Ferretti
• [Pw_forum] GaAs: band gap with HSE is too large   Jerónimo Peralta
• [Pw_forum] gamma_only and noncolin not allowed   Valentina Cantatore
• [Pw_forum] gamma_only and noncolin not allowed   Paolo Giannozzi
• [Pw_forum] gamma_only and noncolin not allowed   Valentina Cantatore
• [Pw_forum] gamma_only and noncolin not allowed   Paolo Giannozzi
• [Pw_forum] H2 can NOT be absopted on FeO(111) surface   Jian XU
• [Pw_forum] help   Anik Shrivastava
• [Pw_forum] help   deepika tripathi
• [Pw_forum] help   Anik Shrivastava
• [Pw_forum] help   Ari P Seitsonen
• [Pw_forum] Help in making my first input file..   siddheshwar chopra
• [Pw_forum] Help in understanding recursive running of i/p file..   siddheshwar chopra
• [Pw_forum] hi   Rohollah Zare
• [Pw_forum] hi   Lorenzo Paulatto
• [Pw_forum] How to fixed the valence of atom   奥野幸洋
• [Pw_forum] How to fixed the valence of atom   Nicola Marzari
• [Pw_forum] how to judge movement of HOMO and LUMO   Rajdeep Banerjee
• [Pw_forum] how to judge movement of HOMO and LUMO   Nicola Marzari
• [Pw_forum] how to judge movement of HOMO and LUMO   Nicola Marzari
• [Pw_forum] how to judge movement of HOMO and LUMO   Rajdeep Banerjee
• [Pw_forum] how to judge movement of HOMO and LUMO   Sclauzero Gabriele
• [Pw_forum] how to judge movement of HOMO and LUMO   Rajdeep Banerjee
• [Pw_forum] how to judge movement of HOMO and LUMO   Rajdeep Banerjee
• [Pw_forum] how to judge movement of HOMO and LUMO   Nicola Marzari
• [Pw_forum] how to judge movement of HOMO and LUMO   Sclauzero Gabriele
• [Pw_forum] how to judge movement of HOMO and LUMO   Giuseppe Mattioli
• [Pw_forum] how to judge movement of HOMO and LUMO   "José C. Conesa"
• [Pw_forum] how to judge movement of HOMO and LUMO   Rajdeep Banerjee
• [Pw_forum] how to judge movement of HOMO and LUMO   Nicola Marzari
• [Pw_forum] how to judge movement of HOMO and LUMO   Rajdeep Banerjee
• [Pw_forum] Installing QE-5.0.3 with ifort- iotk error- reg.,   Muthu V
• [Pw_forum] Installing QE-5.0.3 with ifort- iotk error- reg.,   Axel Kohlmeyer
• [Pw_forum] job doesnot complete for CP md   Ravi Kiran
• [Pw_forum] job doesnot complete for CP md   Axel Kohlmeyer
• [Pw_forum] Linear response method for J   Pietro Bonfa'
• [Pw_forum] Linear response method for J   Matteo Cococcioni
• [Pw_forum] Linear response method for J   Pietro Bonfa'
• [Pw_forum] Magnetic moment   Manoj Narayanan
• [Pw_forum] Mos2 spin orbital coupling   pourya
• [Pw_forum] Mos2 spin orbital coupling   Pang Rui
• [Pw_forum] Mos2 spin orbital coupling   Pourya Ayria
• [Pw_forum] Mos2 spin orbital coupling   ashkan shekaari
• [Pw_forum] Nd2Fe14B Magnetization   Kurth, Michael R.
• [Pw_forum] Nd2Fe14B Magnetization   Arles V. Gil Rebaza
• [Pw_forum] Nd2Fe14B Magnetization   Kurth, Michael R.
• [Pw_forum] Nd2Fe14B Magnetization   Juanjo Meléndez
• [Pw_forum] Nd2Fe14B Magnetization   Kurth, Michael R.
• [Pw_forum] Nd2Fe14B Magnetization   Pang Rui
• [Pw_forum] NSCF stops calculating   Karim Elgammal
• [Pw_forum] NSCF stops calculating   Karim Elgammal
• [Pw_forum] NSCF stops calculating   Paolo Giannozzi
• [Pw_forum] NSCF stops calculating   Karim Elgammal
• [Pw_forum] Parameters for Dispersion Correction   Valentina Cantatore
• [Pw_forum] Parameters for Dispersion Correction   Giuseppe Mattioli
• [Pw_forum] Parameters for Dispersion Correction   Paolo Giannozzi
• [Pw_forum] Parameters for Dispersion Correction   Martin Andersson
• [Pw_forum] phonon calculation   Masoud Avi
• [Pw_forum] phonon calculation with spin-orbit   Mohamad Moadeli
• [Pw_forum] plotproj.x help needed   Rajdeep Banerjee
• [Pw_forum] Postdoc position immediately available   Melissa Pasquinelli
• [Pw_forum] Problem about occupation number in elph calculation   flying_lw at yeah.net
• [Pw_forum] Problem about occupation number in elph calculation   flying_lw at yeah.net
• [Pw_forum] Problem about occupation number in elph calculation   Paolo Giannozzi
• [Pw_forum] Problem about occupation number in elph calculation   flying_lw at yeah.net
• [Pw_forum] Problem about occupation number in elph calculation   Paolo Giannozzi
• [Pw_forum] problem in installation of quantum espresso version 5.1   Arun hcu
• [Pw_forum] problem in installation of quantum espresso version 5.1   manchugh at iitk.ac.in
• [Pw_forum] problem in installation of quantum espresso version 5.1   Bramha Pandey
• [Pw_forum] problem in installation of quantum espresso version 5.1   Bramha Pandey
• [Pw_forum] problem in installation of quantum espresso version 5.1   Surender
• [Pw_forum] Problem in obtaining DOS   Mitul Mundra
• [Pw_forum] Problem in obtaining DOS   Paolo Giannozzi
• [Pw_forum] Problem in running and saving programmes in pwgui   priya kaushik
• [Pw_forum] Problem in running and saving programmes in pwgui   siddheshwar chopra
• [Pw_forum] Problem in VC-relaxation with fixed atomic positions   Marcos Veríssimo Alves
• [Pw_forum] Problem in VC-relaxation with fixed atomic positions   Arles V. Gil Rebaza
• [Pw_forum] Problem in VC-relaxation with fixed atomic positions   N. Plugaru
• [Pw_forum] Problem in VC-relaxation with fixed atomic positions   N. Plugaru
• [Pw_forum] Problem in VC-relaxation with fixed atomic positions   Marcos Veríssimo Alves
• [Pw_forum] Problem in VC-relaxation with fixed atomic positions   Marcos Veríssimo Alves
• [Pw_forum] Problem with Installing Quantum Espresso 5.1.   Goytia, Michael
• [Pw_forum] Problem with Installing Quantum Espresso 5.1.   Paolo Giannozzi
• [Pw_forum] Problem with Installing Quantum Espresso 5.1.   Goytia, Michael
• [Pw_forum] Problem with Installing Quantum Espresso 5.1.   Axel Kohlmeyer
• [Pw_forum] problem with ph.x   Yoel Friedman
• [Pw_forum] problem with q2r.x   Halima Zaari
• [Pw_forum] problem with vc-relax   Khalid Ibne Masood Khalid
• [Pw_forum] problem with vc-relax   Lorenzo Paulatto
• [Pw_forum] problem with vc-relax   Paolo Giannozzi
• [Pw_forum] problem with vc-relax   Paolo Giannozzi
• [Pw_forum] problem with vc-relax   Khalid Ibne Masood Khalid
• [Pw_forum] Problem with vc-relax with pz pseudo potentials.   Khalid Ibne Masood Khalid
• [Pw_forum] Problem with vc-relax with pz pseudo potentials.   Paolo Giannozzi
• [Pw_forum] process killed   toufik esssakhri
• [Pw_forum] process killed   Giuseppe Mattioli
• [Pw_forum] process killed   toufik esssakhri
• [Pw_forum] process killed   Giuseppe Mattioli
• [Pw_forum] process killed   toufik esssakhri
• [Pw_forum] process killed   Giuseppe Mattioli
• [Pw_forum] process killed   toufik esssakhri
• [Pw_forum] process killed   Giuseppe Mattioli
• [Pw_forum] process killed   toufik esssakhri
• [Pw_forum] projwfc.x error with noncollinear+spin orbit+U   S Bhattacharjee
• [Pw_forum] projwfc / ZHEEV parameter   Osmair Vital Osmair
• [Pw_forum] projwfc / ZHEEV parameter   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 83, Issue 12   Anik Shrivastava
• [Pw_forum] pwscf 5.1 IO open error   Yi Wang
• [Pw_forum] pwscf 5.1 IO open error   Paolo Giannozzi
• [Pw_forum] pwscf 5.1 IO open error   Yi Wang
• [Pw_forum] pwscf restart problem   manchugh at iitk.ac.in
• [Pw_forum] pwscf restart problem   toufik esssakhri
• [Pw_forum] pwscf restart problem   Paolo Giannozzi
• [Pw_forum] pwscf restart problem   manchugh at iitk.ac.in
• [Pw_forum] pwscf restart problem   Paolo Giannozzi
• [Pw_forum] QE-GIPAW capabilities   Kris Harris
• [Pw_forum] QE-GIPAW capabilities   Davide Ceresoli
• [Pw_forum] QE-GIPAW capabilities   Ari P Seitsonen
• [Pw_forum] QE-GIPAW capabilities   Kris Harris
• [Pw_forum] QE-GIPAW capabilities   Davide Ceresoli
• [Pw_forum] QE-GPU v14.06.0 has been released!   Filippo Spiga
• [Pw_forum] QE capabilities Inquiry   chad mckee
• [Pw_forum] QE PSU tutorial: Problem with running band.in file   Goytia, Michael
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Jin Chang
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Lorenzo Paulatto
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Paolo Giannozzi
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Jin Chang
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Paolo Giannozzi
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Jin Chang
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Paolo Giannozzi
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Jin Chang
• [Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional   Paolo Giannozzi
• [Pw_forum] Quantum Espresso Installation Problem   manchugh at iitk.ac.in
• [Pw_forum] Quantum Espresso Installation Problem   Paolo Giannozzi
• [Pw_forum] Quantum Espresso Installation Problem   manchugh at iitk.ac.in
• [Pw_forum] Quantum Espresso Installation Problem   Paolo Giannozzi
• [Pw_forum] Quantum Espresso Installation Problem   Paolo Giannozzi
• [Pw_forum] Quantum ESPRESSO in the cloud on Exabyte.io.   Timur Bazhirov
• [Pw_forum] question on constraint magnetic moment calculation   Pang Rui
• [Pw_forum] Question on the   Pang Rui
• [Pw_forum] Questions about qe-gpu   Lijuan He
• [Pw_forum] Questions about qe-gpu   Filippo Spiga
• [Pw_forum] Questions about qe-gpu   Lijuan He
• [Pw_forum] Questions about qe-gpu   Filippo Spiga
• [Pw_forum] Questions about qe-gpu   Lijuan He
• [Pw_forum] Questions about qe-gpu   Filippo Spiga
• [Pw_forum] Questions about qe-gpu   Lijuan He
• [Pw_forum] Questions about the relax/vc-relax calculation   Shuai
• [Pw_forum] Questions about the relax/vc-relax calculation   Jian XU
• [Pw_forum] R: Fermi energy   DELLACA' Valentina (CRF)
• [Pw_forum] Raman activity of two dimensional semiconductors.   ruixiang fei
• [Pw_forum] Reg: q is not a vector in the dense grid.   Peram sreenivasa reddy
• [Pw_forum] Reg: q is not a vector in the dense grid.   Sridhar Sadasivam
• [Pw_forum] Reg: q is not a vector in the dense grid.   Peram sreenivasa reddy
• [Pw_forum] Reg: To calculate EOS using Quantum espresso.   Peram sreenivasa reddy
• [Pw_forum] Reg: To calculate EOS using Quantum espresso.   Sanjeev Gupta
• [Pw_forum] Reg: To calculate EOS using Quantum espresso.   Peram sreenivasa reddy
• [Pw_forum] Regarding Band Structure in primitive and conventional cell   David Foster
• [Pw_forum] Regarding Band Structure in primitive and conventional cell   Giovanni Cantele
• [Pw_forum] regarding iotk error   kulwinder kaur
• [Pw_forum] regarding iotk error   Paolo Giannozzi
• [Pw_forum] Regarding the Error of Namelists.....   siddheshwar chopra
• [Pw_forum] Requirement of module information of quantumespresso   priya kaushik
• [Pw_forum] resolution 1024 x 768   Abolore Musari
• [Pw_forum] resolution to 1024 x 768   Abolore Musari
• [Pw_forum] Restarting of phonon calculations   Elio Physics
• [Pw_forum] Restarting of phonon calculations   Paolo Giannozzi
• [Pw_forum] Restarting of phonon calculations   Elio Physics
• [Pw_forum] scf convergence is hard to reach with DFT+U+SOC using QE5.0   Fpzheng
• [Pw_forum] SCF input file for 2D graphene sheet   Cameron Foss
• [Pw_forum] SCF input file for 2D graphene sheet   Pascal BOULET
• [Pw_forum] Seeking guidance for calculating lattice parameter.   raj hajra
• [Pw_forum] Seeking guidance for calculating lattice parameter.   Bramha Pandey
• [Pw_forum] smearing contrib. (-TS)   Uri Argaman
• [Pw_forum] smearing contrib. (-TS)   Nicola Marzari
• [Pw_forum] smearing contrib. (-TS)   Uri Argaman
• [Pw_forum] the Quantum ESPRESSO prize for quantum mechanical materials modeling   Stefano Baroni
• [Pw_forum] Total magnetization and projwfc.x in non-collinear calculations   simone marocchi
• [Pw_forum] Transmission from PWCOND   Vladislav Borisov
• [Pw_forum] Transmission from PWCOND   nicvok
• [Pw_forum] Transmission from PWCOND   Sclauzero Gabriele
• [Pw_forum] Transmission from PWCOND   Vladislav Borisov
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   noon at seas.ucla.edu
• [Pw_forum] unable to download qe 5.1 source tar balls   Wesley Emeneker
• [Pw_forum] Using Intel Fortran, C++ complier- parallel, serial versions - reg.,   Muthu V
• [Pw_forum] Using Intel Fortran, C++ complier- parallel, serial versions - reg.,   Fabricio Cannini
• [Pw_forum] Using Intel Fortran, C++ complier- parallel, serial versions - reg.,   Filippo Spiga
• [Pw_forum] Using Intel Fortran, C++ complier- parallel, serial versions - reg.,   Axel Kohlmeyer
• [Pw_forum] Using Intel Fortran, C++ complier- parallel, serial versions - reg.,   Paolo Giannozzi
• [Pw_forum] Using Intel Fortran, C++ complier- parallel, serial versions - reg.,   Axel Kohlmeyer
• [Pw_forum] v5.0.2 phcg error (out of memory?)   weeliat
• [Pw_forum] v5.0.2 phcg error (out of memory?)   Paolo Giannozzi
• [Pw_forum] v5.0.2 phcg error (out of memory?)   weeliat
• [Pw_forum] virtual crystal approximation   vasudevan m.v
• [Pw_forum] Volume collapses when using vc-relax   Michael Ruggiero
• [Pw_forum] What is the differences in the three magnetic moments?   Pang Rui
• [Pw_forum] xcrysden   Tommaso Francese
• [Pw_forum] xcrysden   Tone Kokalj
• [Pw_forum] Xcrysden display incorrect structure (when using angstrom units)   Surender
• [Pw_forum] Xcrysden display incorrect structure (when using angstrom units)   Paolo Giannozzi
• [Pw_forum] Xcrysden display incorrect structure (when using angstrom units)   Giovanni Pizzi
• [Pw_forum] Xcrysden display incorrect structure (when using angstrom units)   Surender
• [Pw_forum] Xcrysden display incorrect structure (when using angstrom units)   Tone Kokalj
• [Pw_forum] Xcrysden display incorrect structure (when using angstrom units)   Surender
• [Pw_forum] Xspectra   Tommy
• [Pw_forum] Xspectra   Giuseppe Mattioli

Last message date: Mon Jun 30 20:21:20 CEST 2014
Archived on: Wed Feb 28 11:13:00 CET 2018

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