December 2012 Archives by thread

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Starting: Sat Dec 1 04:01:33 CET 2012
Ending: Mon Dec 31 15:39:51 CET 2012
Messages: 262

• [Pw_forum] Convergence of dos near band edge   Bo Qiu
  • [Pw_forum] Convergence of dos near band edge   Bo Qiu
• [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?   Paolo Giannozzi
  • [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?   Davide Ceresoli
    • [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?   Paolo Giannozzi
• [Pw_forum] ev.x problem with MgO   Sakhrawi Taoufek
  • [Pw_forum] ev.x problem with MgO   Bramha Pandey
  • [Pw_forum] ev.x problem with MgO   Paolo Giannozzi
• [Pw_forum] about the phonon density of states projected onto atom in BZ.   Y. L. Li
  • [Pw_forum] about the phonon density of states projected onto atom in BZ.   Tian Lan
• [Pw_forum] Error in routine cp_read_cell (1)   Bramha Pandey
  • [Pw_forum] Error in routine cp_read_cell (1)   Paolo Giannozzi
    • [Pw_forum] Error in routine cp_read_cell (1)   Bramha Pandey
      • [Pw_forum] Error in routine cp_read_cell (1)   Paolo Giannozzi
      • [Pw_forum] Error in routine cp_read_cell (1)   Bramha Pandey
      • [Pw_forum] Error in routine cp_read_cell (1)   Bramha Pandey
      • [Pw_forum] Error in routine cp_read_cell (1)   Paolo Giannozzi
      • [Pw_forum] Error in routine cp_read_cell (1)   Bramha Pandey
• [Pw_forum] U calculation in GGA+U   Peng Chen
  • [Pw_forum] U calculation in GGA+U   Matteo Cococcioni
    • [Pw_forum] U calculation in GGA+U   Peng Chen
• [Pw_forum] K_POINTS automatic   zahra vatankhah
  • [Pw_forum] K_POINTS automatic   Lorenzo Paulatto
    • [Pw_forum] K_POINTS automatic   zahra vatankhah
      • [Pw_forum] K_POINTS automatic   Lorenzo Paulatto
      • [Pw_forum] K_POINTS automatic   zahra vatankhah
      • [Pw_forum] K_POINTS automatic   Lorenzo Paulatto
      • [Pw_forum] K_POINTS automatic   zahra vatankhah
      • [Pw_forum] K_POINTS automatic   Giuseppe Mattioli
  • [Pw_forum] K_POINTS automatic   Paolo Giannozzi
• [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)   Layla Martin-Samos
  • [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)   Paolo Giannozzi
• [Pw_forum] Scalapack and QE Integration Problem   Iwan Darmadi
  • [Pw_forum] Scalapack and QE Integration Problem   Paolo Giannozzi
• [Pw_forum] Error while running tests and examples   manoj panwar
  • [Pw_forum] Error while running tests and examples   Lorenzo Paulatto
    • [Pw_forum] Error while running tests and examples   Lorenzo Paulatto
      • [Pw_forum] Error while running tests and examples   manoj panwar
• [Pw_forum] ph.x: diagonalization (ZHEGV*) failed at some q-points   Thomas Gruber
  • [Pw_forum] ph.x: diagonalization (ZHEGV*) failed at some q-points   Paolo Giannozzi
• [Pw_forum] vc-relax calculation   marziyeh khodadad
• [Pw_forum] (no subject)   marziyeh khodadad
  • [Pw_forum] (no subject)   Paolo Giannozzi
    • [Pw_forum] (no subject)   marziyeh khodadad
      • [Pw_forum] (no subject)   Paolo Giannozzi
      • [Pw_forum] (no subject)   marziyeh khodadad
  • [Pw_forum] (no subject)   Yue-Wen Fang
  • [Pw_forum] (no subject)   Amin Torabi
• [Pw_forum] DOS calculation   marziyeh khodadad
• [Pw_forum] how to do cluster calculation-shiva   Shiva Shankari
  • [Pw_forum] Fwd: how to do cluster calculation-shiva   Shiva Shankari
• [Pw_forum] Fwd: error while plotting Phonon   Abolore Musari
  • [Pw_forum] Fwd: error while plotting Phonon   Paolo Giannozzi
• [Pw_forum] problem with field   zahra vatankhah
• [Pw_forum] questions on an interfacial energy calculation   Tram Bui
• [Pw_forum] Pw_forum Digest, Vol 66, Issue 10   Satyananda Chab
• [Pw_forum] inadequate format statements in PHonon   David Strubbe
  • [Pw_forum] inadequate format statements in PHonon   Andrea Dal Corso
• [Pw_forum] old references for examples   David Strubbe
  • [Pw_forum] old references for examples   Paolo Giannozzi
• [Pw_forum] Difference in Total energies!   Balaji Ramanujam
  • [Pw_forum] Difference in Total energies!   Stefano Baroni
• [Pw_forum] Best strategy to calculate band gap   Yury Vishnevskiy
  • [Pw_forum] Best strategy to calculate band gap   Stefano Baroni
  • [Pw_forum] Best strategy to calculate band gap   Yura Vishnevskiy
• [Pw_forum] NRL Crystal Web Site Back on Line   Michael Mehl
  • [Pw_forum] Not Quite Yet [was: NRL Crystal Web Site Back on Line]   Michael Mehl
• [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0   ruchir behal
  • [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0   Lorenzo Paulatto
  • [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0   Paolo Giannozzi
    • [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0   Axel Kohlmeyer
      • [Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0   Layla Martin-Samos
• [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   German Samolyuk
  • [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   Ivan Girotto
    • [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   German Samolyuk
• [Pw_forum] polarizability calculation   Olga Sedelnikova
  • [Pw_forum] polarizability calculation   Paolo Giannozzi
• [Pw_forum] Further reduce disk IO for ph.x   Yao Yao
  • [Pw_forum] Further reduce disk IO for ph.x   Axel Kohlmeyer
  • [Pw_forum] Further reduce disk IO for ph.x   Paolo Giannozzi
    • [Pw_forum] Further reduce disk IO for ph.x   Yao Yao
• [Pw_forum] Compute Debye temperature   Yue-Wen Fang
  • [Pw_forum] Compute Debye temperature   Sanjeev Gupta
    • [Pw_forum] Compute Debye temperature   Yue-Wen Fang
• [Pw_forum] binding energy for bundle nanotubes   marziyeh khodadad
• [Pw_forum] set_hubbard_l.f90   Prasenjit Ghosh
  • [Pw_forum] set_hubbard_l.f90   Burak Himmetoglu
    • [Pw_forum] set_hubbard_l.f90   Prasenjit Ghosh
• [Pw_forum] Fwd: Call for candidacy at PIIM Laboratory - CNRS position   Paolo Giannozzi
• [Pw_forum] problems with examples for bands.x   David Strubbe
  • [Pw_forum] problems with examples for bands.x   Siarhei Samsonau
  • [Pw_forum] problems with examples for bands.x   Paolo Giannozzi
    • [Pw_forum] problems with examples for bands.x   Paolo Giannozzi
• [Pw_forum] from read_namelists : error # 17   robinshy
  • [Pw_forum] from read_namelists : error # 17   Stefano Baroni
    • [Pw_forum] from read_namelists : error # 17   Paolo Giannozzi
      • [Pw_forum] 回复: Re: from read_namelists : error # 17   robinshy
      • [Pw_forum] 回复: Re: from read_namelists : error # 17   Stefano Baroni
      • [Pw_forum] 回复: Re: from read_namelists : error # 17   Paolo Giannozzi
    • [Pw_forum] 回复: Re: from read_namelists : error # 17   robinshy
• [Pw_forum] Lattice Parameters in Supercell   Angga Fauzi
  • [Pw_forum] Lattice Parameters in Supercell   Yao Yao
• [Pw_forum] error: "ortho went bananas" in cp.x run   Bramha Pandey
  • [Pw_forum] error: "ortho went bananas" in cp.x run   Paolo Giannozzi
    • [Pw_forum] error: "ortho went bananas" in cp.x run   Emine Kucukbenli
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Bramha Pandey
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Emine Kucukbenli
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Bramha Pandey
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Paolo Giannozzi
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Bramha Pandey
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Layla Martin-Samos
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Bramha Pandey
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Lorenzo Paulatto
      • [Pw_forum] error: "ortho went bananas" in cp.x run   Bramha Pandey
• [Pw_forum] Energy window in STM simulation   David Pullman
  • [Pw_forum] Energy window in STM simulation   Gabriele Sclauzero
    • [Pw_forum] Energy window in STM simulation   David Pullman
      • [Pw_forum] Energy window in STM simulation   Gabriele Sclauzero
• [Pw_forum] R_Cut in pseudopotentials in QE website   david furman
  • [Pw_forum] R_Cut in pseudopotentials in QE website   Paolo Giannozzi
• [Pw_forum] Smearing   Manoj Narayanan
  • [Pw_forum] Smearing   Nicola Marzari
• [Pw_forum] grid.1 and mgrid   nazari at iasbs.ac.ir
  • [Pw_forum] grid.1 and mgrid   Axel Kohlmeyer
    • [Pw_forum] grid.1 and mgrid   nazari at iasbs.ac.ir
    • [Pw_forum] r mesh for u(i,k,G)   nazari at iasbs.ac.ir
      • [Pw_forum] r mesh for u(i,k,G)   Stefano Baroni
• [Pw_forum] make.sys for the new machine: IDRIS - ADA   Emine Kucukbenli
• [Pw_forum] contradictory results of electron-phonon interaction for different k-grids   高淼
  • [Pw_forum] contradictory results of electron-phonon interaction for different k-grids   Lorenzo Paulatto
  • [Pw_forum] contradictory results of electron-phonon interaction for different k-grids   高淼
• [Pw_forum] problem with plotband.x   Surender
  • [Pw_forum] problem with plotband.x   Alfredo Ramirez
• [Pw_forum] EELNE Spectra   Sanjeev Gupta
  • [Pw_forum] EELNE Spectra   Matteo Calandra
• [Pw_forum] documentation for dynmat.x   David Strubbe
  • [Pw_forum] documentation for dynmat.x   Layla Martin-Samos
• [Pw_forum] Extracting charge density difference   Yusuf Zuntu
  • [Pw_forum] Extracting charge density difference   Yusuf Zuntu
• [Pw_forum] unit of mode vectors in matdyn.modes   Steve Schmerler
  • [Pw_forum] unit of mode vectors in matdyn.modes   Yao Yao
  • [Pw_forum] unit of mode vectors in matdyn.modes   Paolo Giannozzi
    • [Pw_forum] unit of mode vectors in matdyn.modes   Steve Schmerler
    • [Pw_forum] unit of mode vectors in matdyn.modes   Paolo Giannozzi
      • [Pw_forum] unit of mode vectors in matdyn.modes   Steve Schmerler
  • [Pw_forum] unit of mode vectors in matdyn.modes   Lorenzo Paulatto
• [Pw_forum] all-electron relaxation   David Grifith
  • [Pw_forum] all-electron relaxation   Giuseppe Mattioli
  • [Pw_forum] all-electron relaxation   David Grifith
    • [Pw_forum] all-electron relaxation   Abdeslam HOUARI
• [Pw_forum] EFG calculation with GIPAW psudopotentials   Arles V. Gil Rebaza
  • [Pw_forum] EFG calculation with GIPAW psudopotentials   Davide Ceresoli
    • [Pw_forum] EFG calculation with GIPAW psudopotentials   Arles V. Gil Rebaza
      • [Pw_forum] EFG calculation with GIPAW psudopotentials   Davide Ceresoli
• [Pw_forum] missing dependencies   David Strubbe
  • [Pw_forum] missing dependencies   Paolo Giannozzi
• [Pw_forum] Can QE5.01 do RAMAN with GGA?   Feng Tian
  • [Pw_forum] Can QE5.01 do RAMAN with GGA?   Paolo Giannozzi
  • [Pw_forum] Can QE5.01 do RAMAN with GGA?   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Can QE5.01 do RAMAN with GGA?   Paolo Giannozzi
• [Pw_forum] Electron-phonon: lambda zero   dt331 at bath.ac.uk
• [Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran   eitan eidelstein
  • [Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran   Paolo Giannozzi
  • [Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran   Giuseppe Mattioli
• [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort   eitan eidelstein
  • [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort   Paolo Giannozzi
• [Pw_forum] Doubt: number of Kohn-Sham states and magnetization   Antonio
  • [Pw_forum] Doubt: number of Kohn-Sham states and magnetization   Paolo Giannozzi
    • [Pw_forum] Doubt: number of Kohn-Sham states and magnetization   Antonio
  • [Pw_forum] Doubt: number of Kohn-Sham states and magnetization   Giuseppe Mattioli
• [Pw_forum] Error to run PWCOND examples   Bramha Pandey
  • [Pw_forum] Error to run PWCOND examples   Bramha Pandey
    • [Pw_forum] Error to run PWCOND examples   Paolo Giannozzi
• [Pw_forum] negative phonon frequencies again :: graphene   Martin Gmitra
  • [Pw_forum] negative phonon frequencies again :: graphene   Martin Gmitra
  • [Pw_forum] negative phonon frequencies again :: graphene   Lorenzo Paulatto
    • [Pw_forum] negative phonon frequencies again :: graphene   Martin Gmitra
      • [Pw_forum] negative phonon frequencies again :: graphene   Paolo Giannozzi
• [Pw_forum] image parallelization and electric fields   David Strubbe
  • [Pw_forum] image parallelization and electric fields   Layla Martin-Samos
• [Pw_forum] the problem of running with different   pari shok
  • [Pw_forum] the problem of running with different   Layla Martin-Samos
  • [Pw_forum] the problem of running with different   Paolo Giannozzi
• [Pw_forum] bandgap calculation of insulators with direct gap   Amin Torabi
  • [Pw_forum] bandgap calculation of insulators with direct gap   Paolo Giannozzi
    • [Pw_forum] bandgap calculation of insulators with direct gap   Giuseppe Mattioli
      • [Pw_forum] bandgap calculation of insulators with direct gap   Paolo Giannozzi
• [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code   Tian Lan
  • [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code   Lorenzo Paulatto
    • [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code   Tian Lan
      • [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code   Lorenzo Paulatto
      • [Pw_forum] questions about computing the third order coupling tensor implemented by d3.x code   Tian Lan
• [Pw_forum] phonon calculation   farouk boutaiba
  • [Pw_forum] phonon calculation   Bramha Pandey
  • [Pw_forum] phonon calculation   farouk boutaiba
  • [Pw_forum] phonon calculation   Paolo Giannozzi
• [Pw_forum] question about PDOS   somayeh fotohi
• [Pw_forum] Pw_forum Digest, Vol 66, Issue 43   pari shok
  • [Pw_forum] Pw_forum Digest, Vol 66, Issue 43   Bramha Pandey
• [Pw_forum] Default PWscf Temperature/Pressure   Ben Palmer
  • [Pw_forum] Default PWscf Temperature/Pressure   Paolo Giannozzi
    • [Pw_forum] Default PWscf Temperature/Pressure   Ben Palmer
• [Pw_forum] Remove/Adding d-shell electron : U calculation   Iwan Darmadi
  • [Pw_forum] Remove/Adding d-shell electron : U calculation   Burak Himmetoglu
• [Pw_forum] restart problem using Grid parallelization   Xiaolong Zhang
  • [Pw_forum] restart problem using Grid parallelization   Paolo Giannozzi
    • [Pw_forum] restart problem using Grid parallelization   Xiaolong Zhang
• [Pw_forum] More bug fixes for QE v.5.0.2   Paolo Giannozzi
• [Pw_forum] .dat file of plotnum=7   mashiat alaaii
• [Pw_forum] restart phonon calculation in 5.0.2   Xiaolong Zhang
  • [Pw_forum] restart phonon calculation in 5.0.2   Paolo Giannozzi
    • [Pw_forum] restart phonon calculation in 5.0.2   Xiaolong Zhang
    • [Pw_forum] restart phonon calculation in 5.0.2   Xiaolong Zhang
• [Pw_forum] Different number of symmetry operations   Feng Tian
  • [Pw_forum] Different number of symmetry operations   Stefano de Gironcoli
• [Pw_forum] local and global minimums in relaxation   Sergey
  • [Pw_forum] local and global minimums in relaxation   Paolo Giannozzi
    • [Pw_forum] local and global minimums in relaxation   Sergey
      • [Pw_forum] local and global minimums in relaxation   Mike Marchywka
• [Pw_forum] Calculating Tc from phonons   dt331 at bath.ac.uk
  • [Pw_forum] g-tensor   zhang123
    • [Pw_forum] g-tensor   Davide Ceresoli
      • [Pw_forum] g-tensor   zhang123
• [Pw_forum] Wishing a Merry Christmas   Bramha Pandey
• [Pw_forum] job announcement & season's greetings   Stefano Baroni
• [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in   eitan eidelstein
  • [Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in   eitan eidelstein
• [Pw_forum] error in reading namelist   Mahdi Faghih nasiri
  • [Pw_forum] error in reading namelist   Bramha Pandey
  • [Pw_forum] error in reading namelist   Paolo Giannozzi
• [Pw_forum] forrtl: severe (174): SIGSEGV, segmentation fault occurred in stress calculation in DFT+U calcualtion   Bramha Pandey
• [Pw_forum] problem calculating el-ph in Hexagonal crystal system   Xiaolong Zhang
  • [Pw_forum] problem calculating el-ph in Hexagonal crystal system   Xiaolong Zhang
    • [Pw_forum] problem calculating el-ph in Hexagonal crystal system   Xiaolong Zhang
• [Pw_forum] Help with Building and Installing Quantum Espresso   Jean Martel
  • [Pw_forum] Help with Building and Installing Quantum Espresso   Mike Atambo
    • [Pw_forum] Help with Building and Installing Quantum Espresso   Jean Martel
  • [Pw_forum] Help with Building and Installing Quantum Espresso   Filippo Spiga
    • [Pw_forum] Help with Building and Installing Quantum Espresso   Jean Martel
• [Pw_forum] Not Convergent DFT+U   Iwan Darmadi
• [Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals?   Yavar Taghipour Azar
  • [Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals?   Ari P Seitsonen
• [Pw_forum] Post-doc position in Materials Research Centre at Indian Institute of Science, Bangalore, India   Aaditya Manjanath
• [Pw_forum] Pseudo directory error   deepika goyal
  • [Pw_forum] Pseudo directory error   Ari P Seitsonen
    • [Pw_forum] Pseudo directory error   Bramha Pandey
    • [Pw_forum] Pseudo directory error   deepika goyal
      • [Pw_forum] Pseudo directory error   Bramha Pandey
      • [Pw_forum] Pseudo directory error   deepika goyal
      • [Pw_forum] Pseudo directory error   Ari P Seitsonen
      • [Pw_forum] Pseudo directory error   Bramha Pandey
      • [Pw_forum] Pseudo directory error   deepika goyal
      • [Pw_forum] Pseudo directory error   Bramha Pandey
      • [Pw_forum] Pseudo directory error   deepika goyal
      • [Pw_forum] Pseudo directory error   Ari P Seitsonen
      • [Pw_forum] Pseudo directory error   Bramha Pandey
      • [Pw_forum] Pseudo directory error   Axel Kohlmeyer
      • [Pw_forum] Pseudo directory error   Ari P Seitsonen
      • [Pw_forum] Pseudo directory error   Bramha Pandey
• [Pw_forum] FW: Error in routine cdiaghg (81): S matrix not positive definite   vijaya subramanian
  • [Pw_forum] FW: Error in routine cdiaghg (81): S matrix not positive definite   Bramha Pandey
• [Pw_forum] svn espresso - segmentation fault in file set_irr.f90   Bramha Pandey

Last message date: Mon Dec 31 15:39:51 CET 2012
Archived on: Wed Feb 28 11:10:58 CET 2018

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