February 2014 Archives by thread

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Starting: Sat Feb 1 19:14:31 CET 2014
Ending: Fri Feb 28 17:35:28 CET 2014
Messages: 199

• [Pw_forum] Excited Atom Approaching a Surface   Vic Bermudez
  • [Pw_forum] Excited Atom Approaching a Surface   Giuseppe Mattioli
  • [Pw_forum] Excited Atom Approaching a Surface   Nicola Marzari
• [Pw_forum] electron-phonon coupling, nesting, double-delta   nicvok
• [Pw_forum] ngauss   ehsan targholi
• [Pw_forum] regarding input file of QE code   kulwinder kaur
  • [Pw_forum] regarding input file of QE code   Surender
• [Pw_forum] number of kpoints for lambda.x   yelena
  • [Pw_forum] number of kpoints for lambda.x   Lorenzo Paulatto
  • [Pw_forum] number of kpoints for lambda.x   Paolo Giannozzi
    • [Pw_forum] number of kpoints for lambda.x   yelena
      • [Pw_forum] number of kpoints for lambda.x   Paolo Giannozzi
• [Pw_forum] band calculation   ehsan targholi
  • [Pw_forum] band calculation   Masoud Nahali
  • [Pw_forum] band calculation   Ajit Kumar Jena
    • [Pw_forum] band calculation   ehsan targholi
      • [Pw_forum] band calculation   Ajit Kumar Jena
      • [Pw_forum] band calculation   ehsan targholi
      • [Pw_forum] band calculation   Andrea Dal Corso
      • [Pw_forum] band calculation   Ajit Kumar Jena
      • [Pw_forum] band calculation   ehsan targholi
• [Pw_forum] pseudopotentials suitable for magnetic system and phcg   weeliat
• [Pw_forum] external electric field in atomic all-electron calculations   Fabio Eduardo
  • [Pw_forum] external electric field in atomic all-electron calculations   Mike Marchywka
• [Pw_forum] use of different pseudopotentials   ehsan targholi
  • [Pw_forum] use of different pseudopotentials   Ari P Seitsonen
• [Pw_forum] LDA+U calculation for La and Sr   Heng Luo
  • [Pw_forum] LDA+U calculation for La and Sr   Shruba Gangopadhyay
  • [Pw_forum] LDA+U calculation for La and Sr   Paolo Giannozzi
  • [Pw_forum] LDA+U calculation for La and Sr   Matteo Cococcioni
• [Pw_forum] Reg: Is Pseudopotential should be same for all elements?   Peram sreenivasa reddy
  • [Pw_forum] Reg: Is Pseudopotential should be same for all elements?   Sonu Kumar
• [Pw_forum] Reg: Is QE completely dependent on system parameters?   Peram sreenivasa reddy
  • [Pw_forum] Reg: Is QE completely dependent on system parameters?   Lorenzo Paulatto
• [Pw_forum] Fwd: Fourier component of charge density with and without the electric field   Mudit Dixit
  • [Pw_forum] Fwd: Fourier component of charge density with and without the electric field   Mudit Dixit
• [Pw_forum] different PP gives different result, why???   Ganjar Kurniawan
  • [Pw_forum] different PP gives different result, why???   Lorenzo Paulatto
    • [Pw_forum] different PP gives different result, why???   Lorenzo Paulatto
  • [Pw_forum] different PP gives different result, why???   Giovanni Cantele
  • [Pw_forum] different PP gives different result, why???   Paolo Giannozzi
• [Pw_forum] different PP give different result. why???   Ganjar Kurniawan
• [Pw_forum] Error in routine sym_rho_init_shell "lone vector" with fixed FFT dimension   Thomas Gruber
  • [Pw_forum] Error in routine sym_rho_init_shell "lone vector" with fixed FFT dimension   Paolo Giannozzi
  • [Pw_forum] Error in routine sym_rho_init_shell "lone vector" with fixed FFT dimension   Thomas Gruber
    • [Pw_forum] Error in routine sym_rho_init_shell "lone vector" with fixed FFT dimension   Paolo Giannozzi
• [Pw_forum] Can pwscf using PAW pseudopotentials with JTH xml style?   jijun gong
• [Pw_forum] charge density cal.   ehsan targholi
  • [Pw_forum] charge density cal.   Thomas Brumme
  • [Pw_forum] charge density cal.   Hadi Arefi
  • [Pw_forum] charge density cal.   Manu Hegde
    • [Pw_forum] charge density cal.   ehsan targholi
      • [Pw_forum] charge density cal.   Hadi Arefi
      • [Pw_forum] charge density cal.   ehsan targholi
      • [Pw_forum] charge density cal.   Thomas Brumme
      • [Pw_forum] charge density cal.   ehsan targholi
• [Pw_forum] Quantum Espresso Workshop (Jun 16 - Jun 20 /2014, Penn State Univ., PA, USA)   Lazaro Calderin
• [Pw_forum] Bug, possibly   Sencer Selcuk
• [Pw_forum] Compile QE v-4.3.2   Vo, Trinh (398C)
  • [Pw_forum] Compile QE v-4.3.2   Axel Kohlmeyer
    • [Pw_forum] Compile QE v-4.3.2   Vo, Trinh (398C)
  • [Pw_forum] Compile QE v-4.3.2   Fabricio Cannini
• [Pw_forum] NEB input cell parameters   Mitul Mundra
  • [Pw_forum] NEB input cell parameters   Giuseppe Mattioli
    • [Pw_forum] NEB input cell parameters   Mitul Mundra
• [Pw_forum] obtain k-point for band structure calculation   ehsan targholi
  • [Pw_forum] obtain k-point for band structure calculation   Hadi Arefi
    • [Pw_forum] obtain k-point for band structure calculation   ehsan targholi
      • [Pw_forum] obtain k-point for band structure calculation   Hadi Arefi
      • [Pw_forum] obtain k-point for band structure calculation   ehsan targholi
• [Pw_forum] ask for a tsmd code   Patriot Pershing
  • [Pw_forum] ask for a tsmd code   Paolo Giannozzi
    • [Pw_forum] ask for a tsmd code   Suza W
  • [Pw_forum] ask for a tsmd code   Lorenzo Paulatto
• [Pw_forum] lambda tc and gaussian broadenind   yelena
  • [Pw_forum] lambda tc and gaussian broadenind   yelena
• [Pw_forum] Testing Espresso with different pseudopotentials   Diego Davila Foyo
  • [Pw_forum] Testing Espresso with different pseudopotentials   Paolo Giannozzi
• [Pw_forum] MASTANI Summer School (June 30 - July 12, 2014, IISER Pune, India)   Prasenjit Ghosh
• [Pw_forum] Wave function file visualising   Suresh A
  • [Pw_forum] Wave function file visualising   mohnish pandey
    • [Pw_forum] Wave function file visualising   Robert Hembree
• [Pw_forum] Can the pwscf works with PAW pseudopotentials in JTH xml format?   jijun gong
  • [Pw_forum] Can the pwscf works with PAW pseudopotentials in JTH xml format?   Paolo Giannozzi
• [Pw_forum] About PBE0   Lesheng Li
• [Pw_forum] quantum-volume based NPT sim. of finite systems   Ganesh, Panchapakesan
• [Pw_forum] CP + Grimme DFT   Paolo Giannozzi
• [Pw_forum] pesudopotential&magnetization   raha khalili
• [Pw_forum] charge density cal   ehsan targholi
• [Pw_forum] Spin polarized surface band   Peng Chen
  • [Pw_forum] Spin polarized surface band   J. D. Burton
    • [Pw_forum] Spin polarized surface band   Peng Chen
• [Pw_forum] Help: pwscf band structure does not agree with published result   life related
  • [Pw_forum] Help: pwscf band structure does not agree with published result   Paolo Giannozzi
• [Pw_forum] Reg: Is there any other option instead of increasing " nbnd " values in pwscf   Peram sreenivasa reddy
  • [Pw_forum] Reg: Is there any other option instead of increasing " nbnd " values in pwscf   Peram sreenivasa reddy
• [Pw_forum] Error in collecting band results and in post processing   Malathi Kalyanikar
  • [Pw_forum] Fwd: Error in collecting band results and in post processing   Malathi Kalyanikar
    • [Pw_forum] Fwd: Error in collecting band results and in post processing   Ajit Kumar Jena
• [Pw_forum] regarding born-effective charge   himanshu at iopb.res.in
  • [Pw_forum] regarding born-effective charge   xirainbow
  • [Pw_forum] regarding born-effective charge   Paolo Giannozzi
    • [Pw_forum] regarding born-effective charge   himanshu at iopb.res.in
• [Pw_forum] Pseudopotential   Manoj Narayanan
  • [Pw_forum] pseudopotential   raha khalili
    • [Pw_forum] pseudopotential   raha khalili
      • [Pw_forum] pseudopotential   Lorenzo Paulatto
      • [Pw_forum] pseudopotential   raha khalili
    • [Pw_forum] pseudopotential   Iyad AL-QASIR
• [Pw_forum] QE-forge back online   Paolo Giannozzi
• [Pw_forum] Charge density with and without the electric field   Mudit Dixit
  • [Pw_forum] Charge density with and without the electric field   Hadi Arefi
    • [Pw_forum] Charge density with and without the electric field   Mudit Dixit
      • [Pw_forum] Charge density with and without the electric field   Hadi Arefi
      • [Pw_forum] Charge density with and without the electric field   Mudit Dixit
• [Pw_forum] need help   Halima Zaari
  • [Pw_forum] need help   Ari P Seitsonen
  • [Pw_forum] need help   Lorenzo Paulatto
• [Pw_forum] (no subject)   MISSAOUI Jamil
• [Pw_forum] Band Structure calculation   MISSAOUI Jamil
  • [Pw_forum] Band Structure calculation   stefano de gironcoli
    • [Pw_forum] Band Structure calculation   MISSAOUI Jamil
• [Pw_forum] dist.x giving NaN values for angles   Laalitha Liyanage
  • [Pw_forum] dist.x giving NaN values for angles   stefano de gironcoli
  • [Pw_forum] dist.x giving NaN values for angles   Lorenzo Paulatto
• [Pw_forum] error when running bands.x   Keivan Esfarjani
• [Pw_forum] Summer school   Mike Towler
• [Pw_forum] Calculation Precision on QE5.0.2-GPU   Tobin Chen
  • [Pw_forum] Calculation Precision on QE5.0.2-GPU   Tobin Chen
  • [Pw_forum] Calculation Precision on QE5.0.2-GPU   Filippo Spiga
  • [Pw_forum] Calculation Precision on QE5.0.2-GPU   Tobin Chen
• [Pw_forum] igk files   Caloma Trumica
  • [Pw_forum] igk files   Lorenzo Paulatto
• [Pw_forum] phonon calculation   yelena
  • [Pw_forum] phonon calculation   xirainbow
    • [Pw_forum] phonon calculation   yelena
  • [Pw_forum] phonon calculation   Iyad AL-QASIR
• [Pw_forum] Rh2 Dimer Bond Length.   Jack Davis
  • [Pw_forum] Rh2 Dimer Bond Length.   Hande Ustunel
  • [Pw_forum] Rh2 Dimer Bond Length.   Paolo Giannozzi
• [Pw_forum] Tiwisted bilayer graphene scf calculation   Pourya Ayria
  • [Pw_forum] Tiwisted bilayer graphene scf calculation   Paolo Giannozzi
• [Pw_forum] [Fwd: Tiwisted bilayer graphene scf calculation]   Pourya Ayria
• [Pw_forum] LDOS CALCULATION   MISSAOUI Jamil
  • [Pw_forum] LDOS CALCULATION   Paolo Giannozzi
  • [Pw_forum] LDOS CALCULATION   Guido Fratesi
• [Pw_forum] Problem with nscf   Vo, Trinh (398C)
  • [Pw_forum] Problem with nscf   Paolo Giannozzi
• [Pw_forum] Summer school: ASESMA 2014   Omololu Akin-Ojo
• [Pw_forum] LDOS   MISSAOUI Jamil
  • [Pw_forum] LDOS   Guido Fratesi
    • [Pw_forum] ghost atom   MISSAOUI Jamil
      • [Pw_forum] ghost atom   Guido Fratesi
      • [Pw_forum] ghost atom   MISSAOUI Jamil
• [Pw_forum] Simple question on parallel IO   H. Lee
  • [Pw_forum] Simple question on parallel IO   Paolo Giannozzi
• [Pw_forum] Magnetism   Winfred Mulwa
  • [Pw_forum] Magnetism   xirainbow
  • [Pw_forum] Magnetism   Paolo Giannozzi
• [Pw_forum] Segmentation fault in bands.x   Keivan Esfarjani
  • [Pw_forum] Segmentation fault in bands.x   Paolo Giannozzi
• [Pw_forum] Noncollinear magnetization and spin orbit coupling problem on Energy convergence and Spin   Xiao Shi
  • [Pw_forum] Noncollinear magnetization and spin orbit coupling problem on Energy convergence and Spin   Winfred Mulwa
• [Pw_forum] ecutwfc   raha khalili
  • [Pw_forum] ecutwfc   Thomas Brumme
  • [Pw_forum] ecutwfc   Giuseppe Mattioli
  • [Pw_forum] ecutwfc   Hadi Arefi
  • [Pw_forum] ecutwfc   Bertrand SITAMTZE
    • [Pw_forum] ecutwfc   raha khalili
      • [Pw_forum] ecutwfc   Axel Kohlmeyer
      • [Pw_forum] ecutwfc   raha khalili
• [Pw_forum] Error in routine sym_rho_init_shell "lone, vector" with fixed FFT dimension   Thomas Gruber
• [Pw_forum] Problem with el-ph calculation: lambda.x run   W2AGZ
• [Pw_forum] About the nqx grid on hybrid calculations   Marcos Veríssimo Alves
• [Pw_forum] regarding 'bands' calculation   kulwinder kaur
  • [Pw_forum] regarding 'bands' calculation   Thomas Brumme
  • [Pw_forum] regarding 'bands' calculation   Juan J. Meléndez
  • [Pw_forum] regarding 'bands' calculation   Paolo Giannozzi
  • [Pw_forum] regarding 'bands' calculation   Giovanni Cantele
• [Pw_forum] Blogpost: "Quantum ESPRESSO: Compiling and Choice of Libraries"   Filippo Spiga
• [Pw_forum] problem with installation GWL   Halima Zaari
  • [Pw_forum] problem with installation GWL   Ari P Seitsonen
    • [Pw_forum] problem with installation GWL   Halima Zaari
• [Pw_forum] Help   Shahid Sattar
  • [Pw_forum] Help   Pascal BOULET
• [Pw_forum] Memory distribution problem   Peng Chen
  • [Pw_forum] Memory distribution problem   Peng Chen
    • [Pw_forum] Memory distribution problem   Paolo Giannozzi
      • [Pw_forum] Memory distribution problem   Peng Chen
      • [Pw_forum] Memory distribution problem   Paolo Giannozzi
  • [Pw_forum] Memory distribution problem   Filippo Spiga
• [Pw_forum] How to calculate the polarization value   Q.J.Wang
• [Pw_forum] NBO similar code for QE   Reza Behjatmanesh-Ardakani
• [Pw_forum] Fwd: Basic Relax Calculation issues   Zarah Baiyee
  • [Pw_forum] Fwd: Basic Relax Calculation issues   bamidele ibrahim
  • [Pw_forum] Fwd: Basic Relax Calculation issues   Paolo Giannozzi
    • [Pw_forum] Fwd: Basic Relax Calculation issues   Zarah Baiyee
• [Pw_forum] pseudopotential with PAW for titanium   Uri Argaman
  • [Pw_forum] pseudopotential with PAW for titanium   Ari P Seitsonen

Last message date: Fri Feb 28 17:35:28 CET 2014
Archived on: Wed Feb 28 11:11:03 CET 2018

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