November 2012 Archives by thread

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Starting: Thu Nov 1 16:36:15 CET 2012
Ending: Fri Nov 30 21:49:48 CET 2012
Messages: 298

• [Pw_forum] Relaxtion   Sakhrawi Taoufek
  • [Pw_forum] Relaxtion   Lorenzo Paulatto
    • [Pw_forum] Relaxtion   Giovanni Pizzi
      • [Pw_forum] Relaxtion   Lorenzo Paulatto
      • [Pw_forum] Relaxtion   Sakhrawi Taoufek
• [Pw_forum] Relaxation   Sakhrawi Taoufek
  • [Pw_forum] Relaxation   Axel Kohlmeyer
    • [Pw_forum] the smooth step function vc-relax   Yongsheng Zhang
      • [Pw_forum] the smooth step function vc-relax   Paolo Giannozzi
• [Pw_forum] scf_must_converge   florence liu
  • [Pw_forum] scf_must_converge   Bramha Pandey
  • [Pw_forum] scf_must_converge   Davide Ceresoli
    • [Pw_forum] scf_must_converge   florence liu
      • [Pw_forum] scf_must_converge   Bramha Pandey
      • [Pw_forum] scf_must_converge   Ari P Seitsonen
      • [Pw_forum] scf_must_converge   florence liu
      • [Pw_forum] scf_must_converge   Sonu Kumar
      • [Pw_forum] scf_must_converge   Lorenzo Paulatto
  • [Pw_forum] scf_must_converge   Davide Tiana
    • [Pw_forum] scf_must_converge   Paolo Giannozzi
  • [Pw_forum] scf_must_converge   Davide Ceresoli
• [Pw_forum] Collect irreps on q != Gamma   Silvia Bahmann
  • [Pw_forum] Collect irreps on q != Gamma   Paolo Giannozzi
  • [Pw_forum] Collect irreps on q != Gamma   Andrea Dal Corso
  • [Pw_forum] Collect irreps on q != Gamma   Silvia Bahmann
• [Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated   Antonio
  • [Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated   Antonio
    • [Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated   Paolo Giannozzi
• [Pw_forum] convergence of SCF calculation of C6H8   Ruibin Liu
  • [Pw_forum] convergence of SCF calculation of C6H8   Axel Kohlmeyer
    • [Pw_forum] convergence of SCF calculation of C6H8   Ruibin Liu
      • [Pw_forum] convergence of SCF calculation of C6H8   Axel Kohlmeyer
  • [Pw_forum] convergence of SCF calculation of C6H8   Masoud
  • [Pw_forum] convergence of SCF calculation of C6H8   Paolo Giannozzi
    • [Pw_forum] convergence of SCF calculation of C6H8   Ruibin Liu
      • [Pw_forum] convergence of SCF calculation of C6H8   Paolo Giannozzi
      • [Pw_forum] convergence of SCF calculation of C6H8   Ruibin Liu
• [Pw_forum] Convergence test w.r.t 'tr2_ph'   Kyeong-hyun Park
  • [Pw_forum] Convergence test w.r.t 'tr2_ph'   Paolo Giannozzi
• [Pw_forum] How to suppress data files in prefix.save   Bo Qiu
  • [Pw_forum] How to suppress data files in prefix.save   Paolo Giannozzi
• [Pw_forum] School for Quantum ESPRESSO developers   Paolo Giannozzi
• [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations   Simon Zapalowicz
  • [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations   Paolo Giannozzi
    • [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations   Simon Zapalowicz
      • [Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations   Paolo Giannozzi
• [Pw_forum] phonon: definition of dynamical matrix and the printed out omega in phonon   Paolo Giannozzi
  • [Pw_forum] phonon: definition of dynamical matrix and the printed out omega in phonon   Paolo Giannozzi
• [Pw_forum] Input file for pawplot.x   Bramha Pandey
  • [Pw_forum] Input file for pawplot.x   Paolo Giannozzi
    • [Pw_forum] Input file for pawplot.x   Bramha Pandey
• [Pw_forum] pdos files connot bw generated by projwfc.x   許世豪
  • [Pw_forum] pdos files connot bw generated by projwfc.x   Lorenzo Paulatto
    • [Pw_forum] pdos files connot bw generated by projwfc.x   許世豪
    • [Pw_forum] pdos files connot bw generated by projwfc.x   許世豪
      • [Pw_forum] pdos files connot bw generated by projwfc.x   GAO Zhe
      • [Pw_forum] pdos files connot bw generated by projwfc.x   許世豪
• [Pw_forum] Tc   Swetarekha Ram
• [Pw_forum] dynamic coordinate study with CP   farid taherkhani
  • [Pw_forum] dynamic coordinate study with CP   Axel Kohlmeyer
  • [Pw_forum] dynamic coordinate study with CP   farid taherkhani
    • [Pw_forum] dynamic coordinate study with CP   Axel Kohlmeyer
• [Pw_forum] question about electric field   mashiat alaaii
  • [Pw_forum] question about electric field   Mohsen Modaresi
• [Pw_forum] Error in compiling espresso-4.0.3   Elie M
  • [Pw_forum] Error in compiling espresso-4.0.3   Lorenzo Paulatto
    • [Pw_forum] Error in compiling espresso-4.0.3   Elie M
• [Pw_forum] visualization of the orbitals produced with the hybrid functional   Alexey Akimov
  • [Pw_forum] visualization of the orbitals produced with the hybrid functional   Giuseppe Mattioli
    • [Pw_forum] visualization of the orbitals produced with the hybrid functional   Layla Martin-Samos
      • [Pw_forum] visualization of the orbitals produced with the hybrid functional   Alexey Akimov
• [Pw_forum] additional electron in the field   pari shok
• [Pw_forum] DATAGRID_3D total points   Ruibin Liu
  • [Pw_forum] DATAGRID_3D total points   Guido Fratesi
• [Pw_forum] DFPT+U   Suza W
  • [Pw_forum] DFPT+U   Suza W
• [Pw_forum] GGA not converge   Sakhrawi Taoufek
  • [Pw_forum] GGA not converge   Axel Kohlmeyer
  • [Pw_forum] GGA not converge   Giuseppe Mattioli
• [Pw_forum] nscf error   Shamsu Abubakar
  • [Pw_forum] nscf error   Axel Kohlmeyer
    • [Pw_forum] nscf error   Bramha Pandey
• [Pw_forum] non-collinear calculations with constrained magnetization   N H Joshi
• [Pw_forum] Using a pseudopotential with ghosts   Pietro Bonfa'
  • [Pw_forum] Using a pseudopotential with ghosts   Paolo Giannozzi
    • [Pw_forum] Using a pseudopotential with ghosts   Pietro Bonfa'
• [Pw_forum] SCF calculation input   Kyeong-hyun Park
• [Pw_forum] Negative charge   Latévi Max LAWSON DAKU
  • [Pw_forum] Negative charge   Paolo Giannozzi
    • [Pw_forum] Negative charge   Latévi Max LAWSON DAKU
• [Pw_forum] error scf calculation   Said Asma
  • [Pw_forum] error scf calculation   Pietro Bonfa'
  • [Pw_forum] error scf calculation   Simon Binnie
  • [Pw_forum] error scf calculation   Bramha Pandey
    • [Pw_forum] error scf calculation   Bramha Pandey
• [Pw_forum] Weird jump in phonon dispersion at Gamma point   Yao Yao
  • [Pw_forum] Weird jump in phonon dispersion at Gamma point   Lorenzo Paulatto
  • [Pw_forum] Weird jump in phonon dispersion at Gamma point   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Weird jump in phonon dispersion at Gamma point   Yao Yao
      • [Pw_forum] Weird jump in phonon dispersion at Gamma point   Lorenzo Paulatto
• [Pw_forum] Parallel Phonon calculations   Elie M
  • [Pw_forum] Parallel Phonon calculations   Lorenzo Paulatto
    • [Pw_forum] Parallel Phonon calculations   Elie M
• [Pw_forum] (no subject)   Elie M
  • [Pw_forum] (no subject)   Elie M
  • [Pw_forum] (no subject)   paresh rout
    • [Pw_forum] (no subject)   Varadharajan Srinivasan
      • [Pw_forum] (no subject)   Nicola Marzari
• [Pw_forum] error in parallel version of epw   Elie M
• [Pw_forum] wavefunction difference   mashiat alaaii
  • [Pw_forum] wavefunction difference   Paolo Giannozzi
• [Pw_forum] Relaxation with LDA+U+J   nuttachai jutong
  • [Pw_forum] Relaxation with LDA+U+J   Matteo Cococcioni
• [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J   nuttachai jutong
  • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J   Alex Smogunov
    • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J   Burak Himmetoglu
  • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J   nuttachai jutong
  • [Pw_forum] Contents of Pw_forum digest Relaxation with LDA+U+J   nuttachai jutong
• [Pw_forum] Pw_forum Digest, Vol 65, Issue 24   nuttachai jutong
  • [Pw_forum] Pw_forum Digest, Vol 65, Issue 24   Matteo Cococcioni
• [Pw_forum] error with lelfield calculation   Mahdi Faghih nasiri
• [Pw_forum] Pw_forum Digest, Vol 65, Issue 26   nuttachai jutong
  • [Pw_forum] Pw_forum Digest, Vol 65, Issue 26   Gabriele Sclauzero
    • [Pw_forum] Pw_forum Digest, Vol 65, Issue 26   Burak Himmetoglu
      • [Pw_forum] Pw_forum Digest, Vol 65, Issue 26   Gabriele Sclauzero
• [Pw_forum] Pw_forum Digest, Vol 65, Issue 27   Thaneshwor Kaloni
• [Pw_forum] incompatible celldm error in charge difference calculation   mashiat alaaii
  • [Pw_forum] incompatible celldm error in charge difference calculation   Paolo Giannozzi
• [Pw_forum] Imaginary phonon frequency   Caloma Trumica
  • [Pw_forum] Imaginary phonon frequency   Sonu Kumar
  • [Pw_forum] Imaginary phonon frequency   Paolo Giannozzi
    • [Pw_forum] S matrix not positive definite   feng.zimin at ireq.ca
• [Pw_forum] davcio error #20 while running epw.x in parallel mode   Elias Albert
• [Pw_forum] Phonon calculations   Elias Albert
  • [Pw_forum] Phonon calculations   Lorenzo Paulatto
• [Pw_forum] SCF calculation don' converge for surface slab   patriot pershing
  • [Pw_forum] SCF calculation don' converge for surface slab   Paolo Giannozzi
    • [Pw_forum] SCF calculation don' converge for surface slab   patriot pershing
      • [Pw_forum] SCF calculation don' converge for surface slab   ilyes hamdi
      • [Pw_forum] SCF calculation don' converge for surface slab   Lorenzo Paulatto
      • [Pw_forum] SCF calculation don' converge for surface slab   patriot pershing
      • [Pw_forum] SCF calculation don' converge for surface slab   Lorenzo Paulatto
  • [Pw_forum] SCF calculation don' converge for surface slab   Amin Torabi
• [Pw_forum] fix volume   Sakhrawi Taoufek
  • [Pw_forum] fix volume   Paolo Giannozzi
    • [Pw_forum] fix volume   Sakhrawi Taoufek
      • [Pw_forum] fix volume   Pietro Bonfa'
  • [Pw_forum] fix volume   Axel Kohlmeyer
• [Pw_forum] .   Yongsheng Zhang
• [Pw_forum] Plot the density and the wave function of wannier function in cp.x   Yi Yao
  • [Pw_forum] Plot the density and the wave function of wannier function in cp.x   Paolo Giannozzi
• [Pw_forum] problem with dielectric constant evaluation through saw tooth potential   jacky even
  • [Pw_forum] problem with dielectric constant evaluation through saw tooth potential   Paolo Giannozzi
• [Pw_forum] Format of .pp postprocessing file   Johannes Moeller
  • [Pw_forum] Format of .pp postprocessing file   Guido Fratesi
    • [Pw_forum] Format of .pp postprocessing file   Johannes Moeller
      • [Pw_forum] Format of .pp postprocessing file   Lorenzo Paulatto
• [Pw_forum] Phonon dispersion grid   Elias Albert
  • [Pw_forum] Phonon dispersion grid   Paolo Giannozzi
    • [Pw_forum] Phonon dispersion grid   Elias Albert
      • [Pw_forum] Phonon dispersion grid   Paolo Giannozzi
• [Pw_forum] Problem in QE3.0   zafar rasheed
  • [Pw_forum] Problem in QE3.0   Paolo Giannozzi
  • [Pw_forum] Problem in QE3.0   zafar rasheed
    • [Pw_forum] Problem in QE3.0   Giovanni Cantele
    • [Pw_forum] Problem in QE3.0   Filippo Spiga
• [Pw_forum] pp.x for getting the difference   pari shok
  • [Pw_forum] pp.x for getting the difference   Paolo Giannozzi
• [Pw_forum] error for espresso.5.0.1 using q2r.x   Y. L. Li
  • [Pw_forum] error for espresso.5.0.1 using q2r.x   feng.zimin at ireq.ca
• [Pw_forum] problem of the convergence in surface calculation of magnetic insulator   yukihiro_okuno at fujifilm.co.jp
  • [Pw_forum] problem of the convergence in surface calculation of magnetic insulator   Sonu Kumar
    • [Pw_forum] problem of the convergence in surface calculation of magnetic insulator   Sonu Kumar
• [Pw_forum] Wannier Function   somayeh fotohi
• [Pw_forum] electric field   zahra vatankhah
• [Pw_forum] Problem with pp.x and lsign option   BARRETEAU Cyrille
  • [Pw_forum] Problem with pp.x and lsign option   Paolo Giannozzi
    • [Pw_forum] RE : Problem with pp.x and lsign option   BARRETEAU Cyrille
• [Pw_forum] Elastic Constants   Ben Palmer
  • [Pw_forum] Elastic Constants   Mohsen Modaresi
    • [Pw_forum] Elastic Constants   Ben Palmer
• [Pw_forum] point double group error - rhombohedral cell   Nicki Frank Hinsche
  • [Pw_forum] point double group error - rhombohedral cell   Paolo Giannozzi
  • [Pw_forum] point double group error - rhombohedral cell   Andrea Dal Corso
  • [Pw_forum] point double group error - rhombohedral cell   Nicki Frank Hinsche
• [Pw_forum] molecular orbital   somayeh fotohi
  • [Pw_forum] tpiba for kpoint   somayeh fotohi
    • [Pw_forum] tpiba for kpoint   Paolo Giannozzi
• [Pw_forum] Non converging neb calculation   Korir Kiptiemoi
  • [Pw_forum] Non converging neb calculation   Masoud
  • [Pw_forum] Non converging neb calculation   Paolo Giannozzi
• [Pw_forum] Pressure along the z-direction of slab   loc duong ding
  • [Pw_forum] Pressure along the z-direction of slab   Paolo Giannozzi
    • [Pw_forum] Pressure along the z-direction of slab   loc duong ding
• [Pw_forum] Band Structure plot   Tsogbadrakh N
  • [Pw_forum] Band Structure plot   Priyanka Goud
  • [Pw_forum] Band Structure plot   Axel Kohlmeyer
  • [Pw_forum] Band Structure plot   Paolo Giannozzi
    • [Pw_forum] Band Structure plot   Tsogbadrakh N
      • [Pw_forum] Band Structure plot   Andrea Dal Corso
      • [Pw_forum] Band Structure plot   Tsogbadrakh N
• [Pw_forum] ecutvcut in Hybrid functionals   Jianpeng Liu
  • [Pw_forum] ecutvcut in Hybrid functionals   Layla Martin-Samos
    • [Pw_forum] ecutvcut in Hybrid functionals   Jianpeng Liu
      • [Pw_forum] ecutvcut in Hybrid functionals   Leonardo Matheus
      • [Pw_forum] ecutvcut in Hybrid functionals   Jianpeng Liu
      • [Pw_forum] ecutvcut in Hybrid functionals   Layla Martin-Samos
      • [Pw_forum] ecutvcut in Hybrid functionals   Amin Torabi
      • [Pw_forum] ecutvcut in Hybrid functionals   Simon Binnie
      • [Pw_forum] ecutvcut in Hybrid functionals   Layla Martin-Samos
• [Pw_forum] Hessian matrix   Antonio
  • [Pw_forum] Hessian matrix   Paolo Giannozzi
    • [Pw_forum] Hessian matrix   Antonio
      • [Pw_forum] Hessian matrix   Antonio
      • [Pw_forum] Hessian matrix   Paolo Giannozzi
• [Pw_forum] Sm2S3 calculations   Hrachya Kyureghian
  • [Pw_forum] Sm2S3 calculations   Darshana Wickramaratne
  • [Pw_forum] Sm2S3 calculations   Paolo Giannozzi
    • [Pw_forum] Sm2S3 calculations   Hrachya Kyureghian
      • [Pw_forum] Sm2S3 calculations   Paolo Giannozzi
• [Pw_forum] binding energy   debbichi mourad
  • [Pw_forum] binding energy   Lorenzo Paulatto
• [Pw_forum] help reg . atomic positions   Shiva Shankari
• [Pw_forum] electron-phonon interaction error.   Y. L. Li
  • [Pw_forum] electron-phonon interaction error.   Lorenzo Paulatto
  • [Pw_forum] electron-phonon interaction error.   Y. L. Li
• [Pw_forum] espresso release-5.0.2   Layla Martin-Samos
• [Pw_forum] Calculate Magnetic Moments of Specific Atoms   曹海元
• [Pw_forum] PhD position at the University of Saskatchewan, Canada   Yao, Yansun
• [Pw_forum] Plotting graphene band   Yusuf Zuntu
• [Pw_forum] fnosee parameter   Karim REZOUALI
  • [Pw_forum] fnosee parameter   Axel Kohlmeyer
• [Pw_forum] nqx in HSE   Amin Torabi
  • [Pw_forum] nqx in HSE   Paolo Giannozzi
  • [Pw_forum] nqx in HSE   Amin Torabi
  • [Pw_forum] nqx in HSE   Giuseppe Mattioli
• [Pw_forum] fft-check warning   Ker Park
  • [Pw_forum] fft-check warning   Paolo Giannozzi
• [Pw_forum] Modelling the pyramidization of Disilane using QE   David Bruce Williams-Young
• [Pw_forum] Bond Order criteria in plane wave basis   yukihiro_okuno at fujifilm.co.jp
  • [Pw_forum] Bond Order criteria in plane wave basis   Giovanni La Penna
• [Pw_forum] TDDFPT module -- input read error check   Marci
  • [Pw_forum] TDDFPT module -- input read error check   Paolo Giannozzi
• [Pw_forum] Error: array gk out-of-bounds With ph.x   dt331 at bath.ac.uk
  • [Pw_forum] Error: array gk out-of-bounds With ph.x   Paolo Giannozzi
• [Pw_forum] plotrho.x   Sakhrawi Taoufek
  • [Pw_forum] plotrho.x   Giovanni Pizzi
• [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   Filippo Spiga
  • [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   Chengyang Li
    • [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   Filippo Spiga
      • [Pw_forum] QE-GPU-5.0.2 (build1) is ready for download   Yue-Wen Fang
      • [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   Yue-Wen Fang
• [Pw_forum] U for Fe   Mansoureh Pashangpour
  • [Pw_forum] U for Fe   Emine Kucukbenli
• [Pw_forum] Putting a strain on a BCC   Ben Palmer
  • [Pw_forum] Putting a strain on a BCC   Paolo Giannozzi
    • [Pw_forum] Putting a strain on a BCC   Ben Palmer
  • [Pw_forum] Putting a strain on a BCC   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Putting a strain on a BCC   Ben Palmer
• [Pw_forum] q-grid generation in phonon calculation   Aaditya Manjanath
• [Pw_forum] PbSe Pseudopotential from PSlibrary   Rui Mao
• [Pw_forum] Electron-Phonon Interaction in Insulators   Samuel Smith
• [Pw_forum] Efermi in band structure calculations   C
  • [Pw_forum] Efermi in band structure calculations   zahra vatankhah
    • [Pw_forum] Efermi in band structure calculations   C
      • [Pw_forum] Efermi in band structure calculations   Sanjeev Gupta
      • [Pw_forum] Efermi in band structure calculations   C
      • [Pw_forum] Efermi in band structure calculations   Mohsen Modaresi
      • [Pw_forum] Efermi in band structure calculations   C
  • [Pw_forum] Efermi in band structure calculations   Paolo Giannozzi
    • [Pw_forum] Efermi in band structure calculations   C
• [Pw_forum] [Support] Issue with cppp.x in QE CPMD   Layla Martin-Samos
  • [Pw_forum] [Support] Issue with cppp.x in QE CPMD   Paolo Giannozzi
    • [Pw_forum] [Support] Issue with cppp.x in QE CPMD   Paolo Giannozzi
• [Pw_forum] Frequency Dependent Dielectric Function   Iwan Darmadi
  • [Pw_forum] Frequency Dependent Dielectric Function   Layla Martin-Samos
• [Pw_forum] dummy atom   Maryam Jamali
  • [Pw_forum] dummy atom   Lorenzo Paulatto
    • [Pw_forum] dummy atom   Axel Kohlmeyer
• [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)   Eduardo Ariel Menendez Proupin
  • [Pw_forum] Frequency Dependent Dielectric Function (Layla Martin-Samos)   Tsogbadrakh N
• [Pw_forum] problem with field   pari shok
• [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?   Tian Lan
  • [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?   Alexey Akimov
  • [Pw_forum] Cannot reach the target temperature in vc-md calculation using pwscf; and where I can find the updated velocities?   Tian Lan
• [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic   Bramha Pandey
  • [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic   Paolo Giannozzi
    • [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic   Bramha Pandey
      • [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic   Paolo Giannozzi
      • [Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic   Bramha Pandey
• [Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241)   Bramha Pandey
  • [Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241)   Paolo Giannozzi
• [Pw_forum] D3.x limited to Gamma point?   Badescu, Stefan
  • [Pw_forum] D3.x limited to Gamma point?   Stefano Baroni
    • [Pw_forum] D3.x limited to Gamma point?   Badescu, Stefan
• [Pw_forum] Convergence of dos near band edge   Bo Qiu
  • [Pw_forum] Convergence of dos near band edge   Stefano Baroni

Last message date: Fri Nov 30 21:49:48 CET 2012
Archived on: Wed Feb 28 11:10:58 CET 2018

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