March 2013 Archives by thread

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Starting: Fri Mar 1 10:42:19 CET 2013
Ending: Fri Mar 29 21:03:37 CET 2013
Messages: 188

• [Pw_forum] electron-phonon with option 'simple'   Natalia Pavlenko
• [Pw_forum] Question on bulk modulus   Chukwuemeka Okoye
  • [Pw_forum] Question on bulk modulus   Paolo Giannozzi
• [Pw_forum] Changing nr3   Varadharajan Srinivasan
  • [Pw_forum] Changing nr3   Paolo Giannozzi
    • [Pw_forum] Changing nr3   Varadharajan Srinivasan
      • [Pw_forum] Changing nr3   Paolo Giannozzi
      • [Pw_forum] Changing nr3   Bramha Pandey
      • [Pw_forum] Changing nr3   Lorenzo Paulatto
      • [Pw_forum] Changing nr3   Varadharajan Srinivasan
      • [Pw_forum] Changing nr3   Lorenzo Paulatto
• [Pw_forum] Phonon DOS problem   Jiayi Yan
• [Pw_forum] a band-gap problem   Marzieh Salimi
  • [Pw_forum] a band-gap problem   Paolo Giannozzi
• [Pw_forum] wave function in r mesh and cube format   nazari at iasbs.ac.ir
  • [Pw_forum] wave function in r mesh and cube format   Paolo Giannozzi
    • [Pw_forum] wave function in r mesh and cube format   nazari at iasbs.ac.ir
      • [Pw_forum] wave function in r mesh and cube format   Paolo Giannozzi
      • [Pw_forum] wave function in r mesh and cube format   nazari at iasbs.ac.ir
      • [Pw_forum] wave function in r mesh and cube format   Paolo Giannozzi
      • [Pw_forum] wave function in r mesh and cube format   Robert Hembree
• [Pw_forum] Technique for converging Ecut and K-points?   Stefano Baroni
  • [Pw_forum] Technique for converging Ecut and K-points?   Stefano Baroni
• [Pw_forum] unsubscribe   Raghuvir R. S. Pissurlenkar
  • [Pw_forum] unsubscribe   Ali KACHMAR
• [Pw_forum] uspp2upf.x is giving error   Krishna chaitanya
  • [Pw_forum] uspp2upf.x is giving error   Paolo Giannozzi
    • [Pw_forum] uspp2upf.x is giving error   Krishna chaitanya
      • [Pw_forum] uspp2upf.x is giving error   Paolo Giannozzi
      • [Pw_forum] uspp2upf.x is giving error   Krishna chaitanya
• [Pw_forum] Wave function files   Vo, Trinh (388C)
  • [Pw_forum] Wave function files   Paolo Giannozzi
    • [Pw_forum] Wave function files   Vo, Trinh (388C)
    • [Pw_forum] Wave function files   Vo, Trinh (388C)
      • [Pw_forum] Wave function files   Gabriele Sclauzero
      • [Pw_forum] Wave function files   Vo, Trinh (388C)
• [Pw_forum] PP.X error in calculating HOMO level   Rui Li
  • [Pw_forum] PP.X error in calculating HOMO level   Paolo Giannozzi
  • [Pw_forum] PP.X error in calculating HOMO level   Rui Li
    • [Pw_forum] PP.X error in calculating HOMO level   Paolo Giannozzi
• [Pw_forum] minor bug in adaptive_thr   guido petretto
  • [Pw_forum] minor bug in adaptive_thr   Simon Binnie
    • [Pw_forum] minor bug in adaptive_thr   guido petretto
• [Pw_forum] pseudo-potential from dacapo   loc duong ding
• [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   mohnish pandey
    • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Prasenjit Ghosh
      • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
    • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Paolo Giannozzi
    • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
      • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Axel Kohlmeyer
      • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Lorenzo Paulatto
      • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
      • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Lorenzo Paulatto
      • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Paolo Giannozzi
    • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
• [Pw_forum] is it orthorhombic or triclinic?   Krishna chaitanya
  • [Pw_forum] is it orthorhombic or triclinic?   Gabriele Sclauzero
  • [Pw_forum] is it orthorhombic or triclinic?   Eduardo Ariel Menendez Proupin
• [Pw_forum] Still Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2   Nisha Agrawal
• [Pw_forum] Logarithmic derivative and US pseudopotentials   Yves Ferro
• [Pw_forum] Total Energy doesn't converge upon increase in Ecutwfc   Han Chueh
  • [Pw_forum] Total Energy doesn't converge upon increase in Ecutwfc   Ali KACHMAR
• [Pw_forum] question   Banafshe Noori
• [Pw_forum] saw-like potential   Farzad Shirazian
• [Pw_forum] too many bands are not converged   Banafshe Noori
  • [Pw_forum] too many bands are not converged   Bramha Pandey
  • [Pw_forum] too many bands are not converged   Sonu Kumar
• [Pw_forum] rVV10   Yun Wang
  • [Pw_forum] rVV10   Yue-Wen Fang
    • [Pw_forum] rVV10   Yun Wang
• [Pw_forum] Fourier interpolation of anharmonic IFCs   Aaditya Manjanath
• [Pw_forum] weighted sum over k-points   vikan manmathan
  • [Pw_forum] weighted sum over k-points   Lorenzo Paulatto
• [Pw_forum] MareNostrum   Emmanuel Clouet
  • [Pw_forum] MareNostrum   Jose C. Conesa
    • [Pw_forum] MareNostrum   Emmanuel Clouet
      • [Pw_forum] MareNostrum   Jose C. Conesa
• [Pw_forum] surface   Sakhrawi Taoufek
  • [Pw_forum] surface   Sakhrawi Taoufek
• [Pw_forum] Non zero "Effective Charges" of Silicon in "example02"   xirainbow
• [Pw_forum] phonon properties   Shiva Mokhavat
  • [Pw_forum] phonon properties   Sanjeev Gupta
• [Pw_forum] Problem with LDA+U in rutile optimization   Franco Bonafé
  • [Pw_forum] Problem with LDA+U in rutile optimization   Paolo Giannozzi
  • [Pw_forum] Problem with LDA+U in rutile optimization   Giuseppe Mattioli
  • [Pw_forum] Problem with LDA+U in rutile optimization   Abdeslam HOUARI
    • [Pw_forum] Problem with LDA+U in rutile optimization   Franco Bonafé
    • [Pw_forum] Problem with LDA+U in rutile optimization   Alex Smogunov
• [Pw_forum] problem with el-ph calculation: lambda.x run   mousumi uk
  • [Pw_forum] problem with el-ph calculation: lambda.x run   mousumi uk
• [Pw_forum] Postdoc position available at The Molecular Foundry, Lawrence Berkeley National Laboratory   David Prendergast
• [Pw_forum] a question on pseudopotential generation   Yue-Wen Fang
  • [Pw_forum] a question on pseudopotential generation   Lorenzo Paulatto
    • [Pw_forum] a question on pseudopotential generation   Yue-Wen Fang
      • [Pw_forum] a question on pseudopotential generation   Lorenzo Paulatto
      • [Pw_forum] a question on pseudopotential generation   Yue-Wen Fang
• [Pw_forum] The problem on PDOS   Cao TF
• [Pw_forum] bands_FS.x Unknown----ferimi surface problem   Small
• [Pw_forum] problem with bands.x and iotk   Krishna chaitanya
  • [Pw_forum] problem with bands.x and iotk   Ali KACHMAR
    • [Pw_forum] problem with bands.x and iotk   Krishna chaitanya
      • [Pw_forum] problem with bands.x and iotk   Paolo Giannozzi
      • [Pw_forum] problem with bands.x and iotk   Krishna chaitanya
• [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   琨陶
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   Stefano de Gironcoli
    • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   琨陶
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   Andrei Malashevich
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   琨陶
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   mohnish pandey
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   琨陶
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   Stefano de Gironcoli
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   琨陶
      • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements   琨陶
• [Pw_forum] post-processing for band structure   yelena
  • [Pw_forum] post-processing for band structure   Paolo Giannozzi
• [Pw_forum] Negative phonon frequencies in rotational modes   neclaoz
• [Pw_forum] Debugging BAND.X regarding mail.   MUTHU V
• [Pw_forum] PWscf & GPUs   Ben Palmer
  • [Pw_forum] PWscf & GPUs   Sonu Kumar
    • [Pw_forum] PWscf & GPUs   Ben Palmer
• [Pw_forum] matdyn.x calculation , forrtl: severe (64): input conversion error   纳米
• [Pw_forum] The definition of rho0 in pp's generation？   Yue-Wen Fang
  • [Pw_forum] The definition of rho0 in pp's generation？   Paolo Giannozzi
    • [Pw_forum] The definition of rho0 in pp's generation？   Yue-Wen Fang
• [Pw_forum] On Lowdin charges (again)   glevita at units.it
  • [Pw_forum] On Lowdin charges (again)   Paolo Giannozzi
• [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation   Robert Hembree
  • [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation   Paolo Giannozzi
  • [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation   Simon Binnie
• [Pw_forum] Debugging BAND.X in PWGUI - 5.0.2 - reg.,   MUTHU V
• [Pw_forum] (no subject)   shruti shukla
  • [Pw_forum] (no subject)   mohnish pandey
• [Pw_forum] Electronic band structures for primitive and conventional unit cells   pascal boulet
  • [Pw_forum] Electronic band structures for primitive and conventional unit cells   Gabriele Sclauzero
  • [Pw_forum] Electronic band structures for primitive and conventional unit cells   Yun Wang
    • [Pw_forum] Electronic band structures for primitive and conventional unit cells   pascal boulet
• [Pw_forum] Unreadable .ps   yelena
  • [Pw_forum] Unreadable .ps   Lorenzo Paulatto
    • [Pw_forum] Unreadable .ps   yelena
      • [Pw_forum] Unreadable .ps   Lorenzo Paulatto
      • [Pw_forum] Unreadable .ps   yelena
• [Pw_forum] No Subject   ali kazempour
• [Pw_forum] A question about elphon   songzhida
• [Pw_forum] Problem in d3.x calculation, espresso-5.0.2   Aaditya Manjanath
  • [Pw_forum] Problem in d3.x calculation, espresso-5.0.2   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 69, Issue 20   Aaditya Manjanath
  • [Pw_forum] Pw_forum Digest, Vol 69, Issue 20   Lorenzo Paulatto
    • [Pw_forum] Pw_forum Digest, Vol 69, Issue 20   Lorenzo Paulatto
• [Pw_forum] ★ Hadi left a gift for you on Badoo...   Badoo
• [Pw_forum] band structure of using electric field   Mahdi Faghih nasiri
  • [Pw_forum] bandstructure by using electric field   Mahdi Faghih nasiri
• [Pw_forum] QE gpu installation   Ben Palmer
  • [Pw_forum] QE gpu installation   Sonu Kumar
    • [Pw_forum] QE gpu installation   Ben Palmer
• [Pw_forum] nscf calculation error   Kopinjol Baishya
  • [Pw_forum] nscf calculation error   GAO Zhe
  • [Pw_forum] nscf calculation error   Lorenzo Paulatto
• [Pw_forum] phonon calculation in finite temperature   wangwei
  • [Pw_forum] phonon calculation in finite temperature   Yue-Wen Fang
  • [Pw_forum] phonon calculation in finite temperature   Jia Chen
• [Pw_forum] Pw_forum Digest, Vol 69, Issue 23   Kopinjol Baishya
  • [Pw_forum] Pw_forum Digest, Vol 69, Issue 23   Lorenzo Paulatto
• [Pw_forum] Reg: convergence of phonon   Swetarekha Ram
  • [Pw_forum] Reg: convergence of phonon   Aaditya Manjanath
    • [Pw_forum] Reg: convergence of phonon   Derek Stewart
• [Pw_forum] Optimal use of bfgs_ndim?   Guido Fratesi
• [Pw_forum] supercell   Anik Shrivastava
• [Pw_forum] Pw_forum Digest, Vol 69, Issue 25   Satyananda Chab
• [Pw_forum] Mo pseudopotential   Ary Junior
  • [Pw_forum] Mo pseudopotential   mgtmentink at lbl.gov
    • [Pw_forum] Mo pseudopotential   Andrea Dal Corso
• [Pw_forum] Too many r-vectors?   Wei Zhou
  • [Pw_forum] Too many r-vectors?   Paolo Giannozzi
    • [Pw_forum] Too many r-vectors?   Wei Zhou
• [Pw_forum] using pp.x to calculate psi^2   Hongze Xia
• [Pw_forum] Electronic entropy   Nicolas FERNANDEZ
  • [Pw_forum] Electronic entropy   Matteo Cococcioni
  • [Pw_forum] Electronic entropy   Lorenzo Paulatto
    • [Pw_forum] Electronic entropy   Nicolas FERNANDEZ
• [Pw_forum] band paralellization paper on Quantum-ESPRESSO   nicola varini
• [Pw_forum] PW is frozen   TRINITE Virginie
  • [Pw_forum] PW is frozen   Sergey Lisenkov
• [Pw_forum] choosing pseudopotential   Никита Вакула
• [Pw_forum] Question on the wsweight subroutine   Aaditya Manjanath
  • [Pw_forum] Question on the wsweight subroutine   Lorenzo Paulatto
• [Pw_forum] Wrong occupation number for f electrons   琨陶

Last message date: Fri Mar 29 21:03:37 CET 2013
Archived on: Wed Feb 28 11:11:00 CET 2018

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