April 2015 Archives by subject

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Starting: Wed Apr 1 05:19:06 CEST 2015
Ending: Thu Apr 30 19:13:06 CEST 2015
Messages: 216

• [Pw_forum] (no subject)   sakthivel durai
• [Pw_forum] (no subject)   Ulman Kanchan Ajit
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   sakthivel durai
• [Pw_forum] (no subject)   Giuseppe Mattioli
• [Pw_forum] (no subject)   Ari P Seitsonen
• [Pw_forum] [Q-e-developers] Problem with Bands.x calculation   Filippo Spiga
• [Pw_forum] About format in Spin Orbit calculations   robert.guzman
• [Pw_forum] About format in Spin Orbit calculations   Arles V. Gil Rebaza
• [Pw_forum] About format in Spin Orbit calculations   robert.guzman
• [Pw_forum] About format in Spin Orbit calculations   Arles V. Gil Rebaza
• [Pw_forum] About format in Spin Orbit calculations   robert.guzman
• [Pw_forum] about overwriting of wavefunctions   Bipul Rakshit
• [Pw_forum] About turbo_davidson.x   Raja Sen
• [Pw_forum] About wavefunction   Jiqiang Li
• [Pw_forum] About wavefunction   Robert Hembree
• [Pw_forum] About wavefunction   Jiqiang Li
• [Pw_forum] a phonon calculation problem   杨顶峰
• [Pw_forum] a phonon calculation problem   H.Y Geoffrey Tse
• [Pw_forum] a phonon calculation problem   Jiban Kangsabanik
• [Pw_forum] A question on the Phonon calculation   高强
• [Pw_forum] band gap using gwl   Mahmoud Hammouri
• [Pw_forum] Building molecules   Saisudhakar
• [Pw_forum] Building molecules   vasu v
• [Pw_forum] Calculation of elastic constants using Quantum Espresso software   priya kaushik
• [Pw_forum] Calculation of elastic constants using Quantum Espresso software   Nicola Marzari
• [Pw_forum] car parrinello md   Youssef Aharbil
• [Pw_forum] cif to pwi   Winfred Mulwa
• [Pw_forum] cif to pwi   Éric Germaneau
• [Pw_forum] cif to pwi   Carlo Nervi
• [Pw_forum] cif to pwi   Winfred Mulwa
• [Pw_forum] Comparing LDA+U simulations   Pietro Bonfa'
• [Pw_forum] Comparing LDA+U simulations   Pietro Bonfa'
• [Pw_forum] computation of parity of electronic wave function   Rajdeep Banerjee
• [Pw_forum] davcio problem again   loc duong ding
• [Pw_forum] Doubt about dipole correction in ZnO   Giovanni Cantele
• [Pw_forum] Doubt about dipole correction in ZnO   Bipul Rakshit
• [Pw_forum] Doubt about dipole correction in ZnO   Giovanni Cantele
• [Pw_forum] Doubt in workfunction example for Al100   Bipul Rakshit
• [Pw_forum] Doubt in workfunction example for Al100   Bipul Rakshit
• [Pw_forum] eigenvectors failed to converge in development pw.x   Peter Scherpelz
• [Pw_forum] eigenvectors failed to converge in development pw.x   Paolo Giannozzi
• [Pw_forum] electronic calculation of nanosystem Si quantum dot   sapna bondwal
• [Pw_forum] Energy mismatch in pw2casino   Samuel Chang
• [Pw_forum] Energy mismatch in pw2casino   Paolo Giannozzi
• [Pw_forum] Energy mismatch in pw2casino   Samuel Chang
• [Pw_forum] Energy mismatch in pw2casino   Paolo Giannozzi
• [Pw_forum] Energy mismatch in pw2casino   Samuel Chang
• [Pw_forum] Equivalent space group   Youssef Aharbil
• [Pw_forum] Error for CP in QE version 5.1.2   Eduardo Cisternas
• [Pw_forum] Error for CP in QE version 5.1.2   Paolo Giannozzi
• [Pw_forum] Error in installing QE-5.1.2 in cluster - Reg   Suresh A
• [Pw_forum] error in phonon frequency calculation   Boateng Isaac Wiafe
• [Pw_forum] error in phonon frequency calculation   Boateng Isaac Wiafe
• [Pw_forum] ev.x fitting problem   Xiao
• [Pw_forum] ev.x fitting problem   Stefano de Gironcoli
• [Pw_forum] ev.x fitting problem   杨潇
• [Pw_forum] ev.x problem on bulk modulus   杨潇
• [Pw_forum] ev.x problem on bulk modulus   stefano de gironcoli
• [Pw_forum] ev.x problem on bulk modulus   Xiao
• [Pw_forum] ev.x problem on bulk modulus   stefano de gironcoli
• [Pw_forum] ev.x problem on bulk modulus   Xiao
• [Pw_forum] Exchange-correlation correction   plgong
• [Pw_forum] extending a previous run   adwait mevada
• [Pw_forum] factional co-ordinate input to QE   janardhan H.L.
• [Pw_forum] factional co-ordinate input to QE   Giuseppe Mattioli
• [Pw_forum] factional co-ordinate input to QE   janardhan H.L.
• [Pw_forum] flat band structure   Zeina Al-Dolami
• [Pw_forum] force convergence in vc-relax   Tianli Feng
• [Pw_forum] force convergence in vc-relax   Florian Altvater
• [Pw_forum] force convergence in vc-relax   Paolo Giannozzi
• [Pw_forum] force convergence in vc-relax   Tianli Feng
• [Pw_forum] force convergence in vc-relax   Paolo Giannozzi
• [Pw_forum] From: wilsun7 at gmail.com   wilsun7 at gmail.com
• [Pw_forum] Fw: Calculation of celldom1and celldom3 of TaB2   tomy tunde
• [Pw_forum] Fw: Calculation of celldom1and celldom3 of TaB2   Konrad Gruszka
• [Pw_forum] Fwd: Doubt about dipole correction in ZnO   Bipul Rakshit
• [Pw_forum] Fwd: help needed on PP   Timothy Uto
• [Pw_forum] Fwd: help needed on PP   Konrad Gruszka
• [Pw_forum] Fwd: help needed on PP   Giuseppe Mattioli
• [Pw_forum] Gaussian/Lorentzian broadening   Amin Torabi
• [Pw_forum] help needed on PP   TIMOTHY UTO
• [Pw_forum] how to install QE linking with libxc   plgong
• [Pw_forum] how to install QE linking with libxc   Axel Kohlmeyer
• [Pw_forum] How to optimize the BaTiO3 tetragonal structure?   Mojtaba Mirseraji
• [Pw_forum] How to optimize the BaTiO3 tetragonal structure?   Mojtaba Mirseraji
• [Pw_forum] How to prepare the pwscf input file when ibrav=-12?   liyincumt at gmail.com
• [Pw_forum] How to run some jobs subsequently?   Mojtaba Mirseraji
• [Pw_forum] How to run some jobs subsequently?   Mojtaba Mirseraji
• [Pw_forum] How to run some jobs subsequently?   Konrad Gruszka
• [Pw_forum] Implemention of 3D-RISM-SCF & Registration request to QE-Forge   nisihara225 at gmail.com
• [Pw_forum] Is there any source for WC Pseudopotentials?   Mojtaba Mirseraji
• [Pw_forum] Is there any way to reduce to the size of the output directory ?   Sajid Ali
• [Pw_forum] Is there any way to reduce to the size of the output directory ?   Paolo Giannozzi
• [Pw_forum] LDA+U   Suza W
• [Pw_forum] libxc with QE   plgong
• [Pw_forum] libxc with QE   Éric Germaneau
• [Pw_forum] libxc with QE   plgong
• [Pw_forum] libxc with QE   Éric Germaneau
• [Pw_forum] libxc with QE   plgong
• [Pw_forum] libxc with QE   Éric Germaneau
• [Pw_forum] magnetization   senaguler at trakya.edu.tr
• [Pw_forum] magnetization   Evren Ataman
• [Pw_forum] magnetization   senaguler at trakya.edu.tr
• [Pw_forum] neb: CI vs no CI   Jaret Qi
• [Pw_forum] nscf error   SRKC Sharma Yamijala
• [Pw_forum] nscf error   Mojtaba Mirseraji
• [Pw_forum] nscf error   Paolo Giannozzi
• [Pw_forum] nscf error   Lorenzo Paulatto
• [Pw_forum] nscf error   SRKC Sharma Yamijala
• [Pw_forum] Optical properties in Quantum Espresso   Winfred Mulwa
• [Pw_forum] Optical properties in Quantum Espresso   xiaochuan Ge
• [Pw_forum] Optical properties in Quantum Espresso   plgong
• [Pw_forum] organic salt MeDH-TTP   Ludwig, Stephan
• [Pw_forum] organic salt MeDH-TTP   Paolo Giannozzi
• [Pw_forum] pbe normconserving pseudopotentials for Fe   Ludwig, Stephan
• [Pw_forum] pbe normconserving pseudopotentials for Fe   Nicola Marzari
• [Pw_forum] pbe normconserving pseudopotentials for Fe   Ludwig, Stephan
• [Pw_forum] pbe normconserving pseudopotentials for Fe   Paolo Giannozzi
• [Pw_forum] pbe normconserving pseudopotentials for Fe   Ludwig, Stephan
• [Pw_forum] pbe normconserving pseudopotentials for Fe   Ludwig, Stephan
• [Pw_forum] phonon   Masoud Avi
• [Pw_forum] phonon   stefano de gironcoli
• [Pw_forum] Phonon dispersion - negative frequencies   Sohail Ahmad
• [Pw_forum] pp generation   TIMOTHY UTO
• [Pw_forum] pp generation   Carsten Fortmann
• [Pw_forum] pp help needed   TIMOTHY UTO
• [Pw_forum] pp help needed   Carsten Fortmann
• [Pw_forum] Problem with "diagonalization (ZHEGV*) failed " in WC pseudopotentials (PAW and Ultrasoft)   Mojtaba Mirseraji
• [Pw_forum] Problem with "diagonalization (ZHEGV*) failed " in WC pseudopotentials (PAW and Ultrasoft)   Mojtaba Mirseraji
• [Pw_forum] Problem with constrained_magnetization='atomic'   Fabio Bernardini
• [Pw_forum] Problem with TiO2 (anatase) band structure   Sadegh Ghaderzadeh
• [Pw_forum] pw2casino failed   Samuel Chang
• [Pw_forum] Pw_forum Digest, Vol 93, Issue 1   Gul Rahman
• [Pw_forum] Pw_forum Digest, Vol 93, Issue 14   Gul Rahman
• [Pw_forum] Pw_forum Digest, Vol 93, Issue 16   Hardev Singh
• [Pw_forum] Pw_forum Digest, Vol 93, Issue 16   Konrad Gruszka
• [Pw_forum] Pw_forum Digest, Vol 93, Issue 16   Giuseppe Mattioli
• [Pw_forum] Pw_forum Digest, Vol 93, Issue 27   poonam tandon
• [Pw_forum] pwscf 'Relax' problem   Konrad Gruszka
• [Pw_forum] pwscf 'Relax' problem   Paolo Giannozzi
• [Pw_forum] QE-GPU   H.Benaissa
• [Pw_forum] QE-GPU   Filippo Spiga
• [Pw_forum] QE_Parallel   Gul Rahman
• [Pw_forum] QE_Parallel   Gul Rahman
• [Pw_forum] QE_Parallel   MKondrin
• [Pw_forum] quantum espresso - pdb as input   Mohan maruthi sena
• [Pw_forum] quantum espresso - pdb as input   Paolo Giannozzi
• [Pw_forum] quantum espresso - pdb as input   Mohan maruthi sena
• [Pw_forum] Question on el-ph calculations   Сергей Ерохин
• [Pw_forum] Question on el-ph calculations   MKondrin
• [Pw_forum] Question on el-ph calculations   Сергей Ерохин
• [Pw_forum] Question on el-ph calculations   MKondrin
• [Pw_forum] Question on el-ph calculations   Paolo Giannozzi
• [Pw_forum] question relating to crystal optimization   Neeraj Goel
• [Pw_forum] question relating to crystal optimization   Giuseppe Mattioli
• [Pw_forum] question relating to crystal optimization   Mojtaba Mirseraji
• [Pw_forum] question relating to crystal optimization   Neeraj Goel
• [Pw_forum] Questions related to Co and Fe Pseudopotentials in pslib 1and 0.31   Mostafa Youssef
• [Pw_forum] Questions related to Co and Fe Pseudopotentials in pslib 1and 0.31   Andrea Dal Corso
• [Pw_forum] Questions related to Co and Fe Pseudopotentials in pslib 1and 0.31   Mostafa Youssef
• [Pw_forum] Re :different magnetism with different ibravis   Swati Khatta
• [Pw_forum] Real and imaginary part of dielectric function   Sohail Ahmad
• [Pw_forum] Reflectivity data from epsi.dat or epsr.dat   Winfred Mulwa
• [Pw_forum] Reflectivity data from epsi.dat or epsr.dat   H.Y Geoffrey Tse
• [Pw_forum] Regarding (Nudged Elastic Band) NEB calculation   Rameswar Bhattacharjee
• [Pw_forum] regarding magnetization   Hardev Singh
• [Pw_forum] regarding magnetization   Giovanni Cantele
• [Pw_forum] regarding starting magnetization   Hardev Singh
• [Pw_forum] regarding starting magnetization   Giuseppe Mattioli
• [Pw_forum] Regrading nudged elastic band(NEB) model   Rameswar Bhattacharjee
• [Pw_forum] restart neb   Jaret Qi
• [Pw_forum] Running scf for C2B10H12   amosleff at gmail.com
• [Pw_forum] Running scf for C2B10H12   Giovanni Cantele
• [Pw_forum] Sakthi   sakthivel durai
• [Pw_forum] Sakthi   Giuseppe Mattioli
• [Pw_forum] Sakthi   Giovanni Cantele
• [Pw_forum] Silicon HSE Problem   Khara, Galvin
• [Pw_forum] Silicon HSE Problem   Layla Martin-Samos
• [Pw_forum] Silicon HSE Problem   Khara, Galvin
• [Pw_forum] Tb09-MetaGGA convergence problem   plgong
• [Pw_forum] Tb09-MetaGGA convergence problem   Éric Germaneau
• [Pw_forum] Tb09-MetaGGA convergence problem   plgong
• [Pw_forum] Tb09-MetaGGA convergence problem   Éric Germaneau
• [Pw_forum] Tb09-MetaGGA convergence problem   plgong
• [Pw_forum] Tb09-MetaGGA convergence problem   Éric Germaneau
• [Pw_forum] Tb09-MetaGGA convergence problem   plgong
• [Pw_forum] Tb09-MetaGGA convergence problem   Éric Germaneau
• [Pw_forum] Tb09-MetaGGA convergence problem   plgong
• [Pw_forum] Total energy vs PP and some beginner questions   Konrad Gruszka
• [Pw_forum] Total energy vs PP and some beginner questions   Giuseppe Mattioli
• [Pw_forum] Total energy vs PP and some beginner questions   Giovanni Cantele
• [Pw_forum] Total energy vs PP and some beginner questions   Konrad Gruszka
• [Pw_forum] Total energy vs PP and some beginner questions   Giuseppe Mattioli
• [Pw_forum] uniform k-point grid with option 'automatic'??   Ludwig, Stephan
• [Pw_forum] uniform k-point grid with option 'automatic'??   高强
• [Pw_forum] uniform k-point grid with option 'automatic'??   Ludwig, Stephan
• [Pw_forum] uniform k-point grid with option 'automatic'??   Paolo Giannozzi
• [Pw_forum] uniform k-point grid with option 'automatic'??   Ludwig, Stephan
• [Pw_forum] uniform k-point grid with option 'automatic'??   TIMOTHY UTO
• [Pw_forum] uniform k-point grid with option 'automatic'??   TIMOTHY UTO
• [Pw_forum] uniform k-point grid with option 'automatic'??   TIMOTHY UTO
• [Pw_forum] Unrecognized dft error   Eric Glen Suter
• [Pw_forum] Unrecognized dft error   sakthivel durai
• [Pw_forum] Unrecognized dft error   yelena
• [Pw_forum] Unrecognized dft error   Gabriel Greene
• [Pw_forum] Unrecognized dft error   Gabriel Greene
• [Pw_forum] vc-relax + hybrid functional   Juliana Morbec
• [Pw_forum] vc-relax + hybrid functional   Layla Martin-Samos
• [Pw_forum] vc-relax + hybrid functional   Giuseppe Mattioli
• [Pw_forum] version of QE   yelena
• [Pw_forum] wannier90 code   杨顶峰
• [Pw_forum] wannier90 code   Layla Martin-Samos
• [Pw_forum] xc functional   plgong
• [Pw_forum] xc functional   Paolo Giannozzi
• [Pw_forum] 回覆： a phonon calculation problem   geoffrey.tse

Last message date: Thu Apr 30 19:13:06 CEST 2015
Archived on: Wed Feb 28 11:13:04 CET 2018

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