November 2016 Archives by thread

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Starting: Tue Nov 1 14:06:49 CET 2016
Ending: Wed Nov 30 16:55:11 CET 2016
Messages: 266

• [Pw_forum] nscf calculation   Q.J.Wang
  • [Pw_forum] nscf calculation   dario rocca
    • [Pw_forum] nscf calculation   Paolo Giannozzi
  • [Pw_forum] nscf calculation   Q.J.Wang
    • [Pw_forum] nscf calculation   Duy Le
• [Pw_forum] Spin calculation.   Himani Mishra
• [Pw_forum] QE-5.4.0 on hpc cluster w gfortran + MKL and other   eugenia wetrowa
  • [Pw_forum] QE-5.4.0 on hpc cluster w gfortran + MKL and other   Ari P Seitsonen
• [Pw_forum] Solvent model did not switch on   huangxu1706 at sina.com
  • [Pw_forum] Solvent model did not switch on   Paolo Giannozzi
    • [Pw_forum] Solvent model did not switch on   Huang, Xu
      • [Pw_forum] Solvent model did not switch on   Oliviero Andreussi
• [Pw_forum] Titanium Molecular Dynamics Stability Issues   Nicholas Walker
• [Pw_forum] Kubo-Greenwood with Quantum Espresso   Taylor, Decarlos E CIV USARMY RDECOM ARL (US)
  • [Pw_forum] Kubo-Greenwood with Quantum Espresso   Lazaro Calderin
• [Pw_forum] Is there any effective way to reduce memory requirements in ph.x calculation?   Yin Li
  • [Pw_forum] Is there any effective way to reduce memory requirements in ph.x calculation?   Paolo Giannozzi
• [Pw_forum] neb.x   Marco Fronzi
  • [Pw_forum] neb.x   Paolo Giannozzi
• [Pw_forum] 6.0 + environ   Giuseppe Mattioli
  • [Pw_forum] 6.0 + environ   Oliviero Andreussi
    • [Pw_forum] 6.0 + environ   Giuseppe Mattioli
• [Pw_forum] plot charge density individually   Vîpîñ Kúmår
• [Pw_forum] problem in post-processing: charge density minus superposition of atomic densities   Uri Argaman
  • [Pw_forum] problem in post-processing: charge density minus superposition of atomic densities   Duy Le
    • [Pw_forum] problem in post-processing: charge density minus superposition of atomic densities   Paolo Giannozzi
• [Pw_forum] method to create high-symmetry k-paths?   Christoph Wolf(신소재공학과)
  • [Pw_forum] method to create high-symmetry k-paths?   Lorenzo Paulatto
  • [Pw_forum] method to create high-symmetry k-paths?   Christoph Wolf
    • [Pw_forum] method to create high-symmetry k-paths?   Giovanni Pizzi
      • [Pw_forum] method to create high-symmetry k-paths?   Nicola Marzari
  • [Pw_forum] method to create high-symmetry k-paths?   Mohammed Ghadiyali
    • [Pw_forum] method to create high-symmetry k-paths?   Giovanni Pizzi
• [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
  • [Pw_forum] Si pseudopotential for Silicene   Максим Арсентьев
    • [Pw_forum] Si pseudopotential for Silicene   Willy Kohn
      • [Pw_forum] Si pseudopotential for Silicene   Максим Арсентьев
      • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
      • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
      • [Pw_forum] Si pseudopotential for Silicene   Максим Арсентьев
      • [Pw_forum] Si pseudopotential for Silicene   Максим Арсентьев
      • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
      • [Pw_forum] Si pseudopotential for Silicene   Максим Арсентьев
    • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
  • [Pw_forum] Si pseudopotential for Silicene   Ari P Seitsonen
    • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
      • [Pw_forum] Si pseudopotential for Silicene   Ari P Seitsonen
      • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
      • [Pw_forum] Si pseudopotential for Silicene   Ari P Seitsonen
      • [Pw_forum] Si pseudopotential for Silicene   Andrey Chibisov
• [Pw_forum] the error: "ortho went bananas" in cp.x run   周凯旋
  • [Pw_forum] the error: "ortho went bananas" in cp.x run   Paolo Giannozzi
  • [Pw_forum] the error: "ortho went bananas" in cp.x run   周凯旋
• [Pw_forum] Phosphorene Bandstructure using spin-orbit Coupling   Mr. Sushant Kumar Behera
  • [Pw_forum] Phosphorene Bandstructure using spin-orbit Coupling   Giovanni Cantele
    • [Pw_forum] Phosphorene Bandstructure using spin-orbit Coupling   Mr. Sushant Kumar Behera
      • [Pw_forum] Phosphorene Bandstructure using spin-orbit Coupling   Altaf Ur Rahman
      • [Pw_forum] Phosphorene Bandstructure using spin-orbit Coupling   Giovanni Cantele
      • [Pw_forum] Phosphorene Bandstructure using spin-orbit Coupling   Mr. Sushant Kumar Behera
• [Pw_forum] (no subject)   Allen Majewski
• [Pw_forum] [Error in routine checkallsym (1)], during md run   Allen Majewski
  • [Pw_forum] [Error in routine checkallsym (1)], during md run   Paolo Giannozzi
• [Pw_forum] Saving wfcs at intermediate MD steps (was: no subject)   Lorenzo Paulatto
  • [Pw_forum] Saving wfcs at intermediate MD steps (was: no subject)   Paolo Giannozzi
  • [Pw_forum] Saving wfcs at intermediate MD steps (was: no subject)   Majewski,Allen R
    • [Pw_forum] Saving wfcs at intermediate MD steps (was: no subject)   Paolo Giannozzi
• [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
  • [Pw_forum] LSDA calculation with Hybrid functional   Lorenzo Paulatto
    • [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
      • [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
      • [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
• [Pw_forum] Help in cif file atomic positions   Majewski,Allen R
• [Pw_forum] Cu_1d states at VBM   Winfred Mulwa
• [Pw_forum] cppp.x axsf output range selection   Rolly Ng
• [Pw_forum] estimate of the memory required by a calculation   Aldo Ugolotti
  • [Pw_forum] estimate of the memory required by a calculation   Paolo Giannozzi
• [Pw_forum] Difference between scalar and relativistic pseudo potential   Rajendra Singh
• [Pw_forum] Question on scaling of Quantum Espresso   Pablo García Risueño
  • [Pw_forum] Question on scaling of Quantum Espresso   Federico Iori
    • [Pw_forum] Question on scaling of Quantum Espresso   Pablo García Risueño
      • [Pw_forum] Question on scaling of Quantum Espresso   Paolo Giannozzi
      • [Pw_forum] Question on scaling of Quantum Espresso   Pablo García Risueño
      • [Pw_forum] Question on scaling of Quantum Espresso   Paolo Giannozzi
      • [Pw_forum] Question on scaling of Quantum Espresso   Pablo García Risueño
      • [Pw_forum] Question on scaling of Quantum Espresso   Paolo Giannozzi
      • [Pw_forum] Question on scaling of Quantum Espresso   Pablo García Risueño
• [Pw_forum] Hot can I calculate band structure using PBE0   Abdullah N. Albarakati
  • [Pw_forum] Hot can I calculate band structure using PBE0   Giuseppe Mattioli
• [Pw_forum] wrong representation in qe-6.0   Antoine JAY
  • [Pw_forum] wrong representation in qe-6.0   Paolo Giannozzi
    • [Pw_forum] wrong representation in qe-6.0   Paolo Giannozzi
• [Pw_forum] Phonon_IR_Raman_Scale_Factor   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] plotband.x inconsistency between ps and xmgr   Eong Sheng Goh
• [Pw_forum] Problem with lattice optimization   sayan chaudhuri
  • [Pw_forum] Problem with lattice optimization   Mojtaba Mirseraji
• [Pw_forum] pseudotype   荣
  • [Pw_forum] pseudotype   Thomas Brumme
• [Pw_forum] gamma approximation does not work for hybrid   Tiana Davide
  • [Pw_forum] gamma approximation does not work for hybrid   Paolo Giannozzi
  • [Pw_forum] gamma approximation does not work for hybrid   Paolo Giannozzi
• [Pw_forum] virtual crystal approximation   Yue-Wen Fang
• [Pw_forum] virtual.x running error in QE-5.4.0   Yue-Wen Fang
• [Pw_forum] an abnormal error   Shaofeng Wang
  • [Pw_forum] an abnormal error   Paolo Giannozzi
    • [Pw_forum] an abnormal error   nisihara225 at gmail.com
    • [Pw_forum] an abnormal error   Paolo Giannozzi
• [Pw_forum] transverse acoustic, longitudinal acoustic, and out-of-plane transverse acoustic   ali ghafari
  • [Pw_forum] transverse acoustic, longitudinal acoustic, and out-of-plane transverse acoustic   ali ghafari
  • [Pw_forum] transverse acoustic, longitudinal acoustic, and out-of-plane transverse acoustic   Uri Argaman
• [Pw_forum] Xcrysden   Uttam Paliwal
  • [Pw_forum] Xcrysden   Matic Poberznik
    • [Pw_forum] Xcrysden   Uttam Paliwal
      • [Pw_forum] Xcrysden   Matic Poberznik
      • [Pw_forum] Xcrysden   Matic Poberznik
      • [Pw_forum] Xcrysden   Uttam Paliwal
      • [Pw_forum] Xcrysden   Uttam Paliwal
      • [Pw_forum] Xcrysden   Matic Poberžnik
      • [Pw_forum] Xcrysden   Tone Kokalj
      • [Pw_forum] Xcrysden   Tone Kokalj
      • [Pw_forum] Xcrysden   Uttam Paliwal
      • [Pw_forum] Xcrysden   Uttam Paliwal
• [Pw_forum] regarding ev.x program   Dr. K. C. Bhamu
  • [Pw_forum] regarding ev.x program   Paolo Giannozzi
• [Pw_forum] Atomic positions   adurajski at wip.pcz.pl
  • [Pw_forum] Atomic positions   Pietro Delugas
• [Pw_forum] A Cutting-edge Question !!!   ashkan shekaari
  • [Pw_forum] A Cutting-edge Question !!!   Matteo Cococcioni
    • [Pw_forum] A Cutting-edge Question !!!   ashkan shekaari
      • [Pw_forum] A Cutting-edge Question !!!   Lorenzo Paulatto
      • [Pw_forum] A Cutting-edge Question !!!   ashkan shekaari
      • [Pw_forum] A Cutting-edge Question !!!   Paolo Giannozzi
• [Pw_forum] trend in HOMO-LUMO energies   Rajdeep Banerjee
• [Pw_forum] problem with pp.x in the calculation of delta rho (plot_num=9)   Uri Argaman
• [Pw_forum] Error in routine bfgs (1): NR step-length unreasonably short   janardhan H.L.
  • [Pw_forum] Error in routine bfgs (1): NR step-length unreasonably short   Paolo Giannozzi
• [Pw_forum] qe_6.0 nr fixed in q_gen subroutine   Antoine JAY
  • [Pw_forum] qe_6.0 nr fixed in q_gen subroutine   Paolo Giannozzi
• [Pw_forum] Thank you Paolo   Dr. K. C. Bhamu
• [Pw_forum] nr fixed in q_gen subroutine : give wrong total_weight   Antoine JAY
  • [Pw_forum] nr fixed in q_gen subroutine : give wrong total_weight   Paolo Giannozzi
• [Pw_forum] wrong representation in qe-6.0: Bad but working solution   Antoine JAY
  • [Pw_forum] wrong representation in qe-6.0: Bad but working solution   Lorenzo Paulatto
• [Pw_forum] Urgent   ashkan shekaari
• [Pw_forum] Hpsi   ashkan shekaari
• [Pw_forum] Soc   ashkan shekaari
• [Pw_forum] lambda.x input   Subhodip Chatterjee
• [Pw_forum] spin-orbit matrix elements   Mortaza Aghtar
• [Pw_forum] Isosufaces homo lumo   alberto
  • [Pw_forum] Isosufaces homo lumo   Giovanni Cantele
• [Pw_forum] charge density   Alexandra Davila
  • [Pw_forum] charge density   Uri Argaman
• [Pw_forum] SPIN   ashkan shekaari
  • [Pw_forum] SPIN   Lorenzo Paulatto
  • [Pw_forum] SPIN   Giovanni Cantele
    • [Pw_forum] SPIN   ashkan shekaari
      • [Pw_forum] SPIN   Giovanni Cantele
• [Pw_forum] on PHONON user guide   H. Lee
  • [Pw_forum] on PHONON user guide   Paolo Giannozzi
• [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0   Federico Iori
  • [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0   Giuseppe Mattioli
  • [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0   Paolo Giannozzi
    • [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0   Federico Iori
• [Pw_forum] valence   ashkan shekaari
  • [Pw_forum] valence   Giovanni Cantele
• [Pw_forum] val   ashkan shekaari
• [Pw_forum] Phonon Restarting From Killed Job   MICHALCHUK Adam
  • [Pw_forum] Phonon Restarting From Killed Job   Paolo Giannozzi
    • [Pw_forum] Phonon Restarting From Killed Job   MICHALCHUK Adam
      • [Pw_forum] Phonon Restarting From Killed Job   Hüseyin Yasin Uzunok
      • [Pw_forum] Phonon Restarting From Killed Job   Lorenzo Paulatto
      • [Pw_forum] Phonon Restarting From Killed Job   MICHALCHUK Adam
• [Pw_forum] MF   ashkan shekaari
• [Pw_forum] VC-relax collapsing unit cell   John Bilgerman
  • [Pw_forum] VC-relax collapsing unit cell   Stefano de Gironcoli
  • [Pw_forum] VC-relax collapsing unit cell   Paolo Giannozzi
    • [Pw_forum] VC-relax collapsing unit cell   John Bilgerman
      • [Pw_forum] VC-relax collapsing unit cell   Paolo Giannozzi
• [Pw_forum] plotting Band structure in Origin   systechno at yahoo.com
• [Pw_forum] Plotting band structure   systechno at yahoo.com
• [Pw_forum] problem for generating q-points using kpoint.x   Aaron Jung
• [Pw_forum] epsilon.x   mansourehp at gmail.com
  • [Pw_forum] epsilon.x   Andrea Ferretti
    • [Pw_forum] epsilon.x   mansourehp at gmail.com
      • [Pw_forum] epsilon.x   Andrea Ferretti
• [Pw_forum] magnetic field   Mems Aghaee
• [Pw_forum] connect with line points of bands   alberto
  • [Pw_forum] connect with line points of bands   Abu Ibraheem Hassan
• [Pw_forum] Running in Parallel   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Running in Parallel   Filippo SPIGA
    • [Pw_forum] Running in Parallel   Mofrad, Amir Mehdi (MU-Student)
      • [Pw_forum] Running in Parallel   Paolo Giannozzi
• [Pw_forum] problem with DFT+U   Sergi Vela
  • [Pw_forum] problem with DFT+U   Paolo Giannozzi
    • [Pw_forum] problem with DFT+U   Sergi Vela
• [Pw_forum] QE 6.0 slower than 5.4 ??   Francesco Pelizza
  • [Pw_forum] QE 6.0 slower than 5.4 ??   Paolo Giannozzi
  • [Pw_forum] QE 6.0 slower than 5.4 ??   nicola varini
• [Pw_forum] Total energy calculation   Максим Арсентьев
• [Pw_forum] Convergence   Максим Арсентьев
• [Pw_forum] Unit-cell and Super-cell bandgap difference   Vipul Shivaji Ghemud
  • [Pw_forum] Unit-cell and Super-cell bandgap difference   dario rocca
  • [Pw_forum] Unit-cell and Super-cell bandgap difference   Vipul Shivaji Ghemud
    • [Pw_forum] Unit-cell and Super-cell bandgap difference   dario rocca
  • [Pw_forum] Unit-cell and Super-cell bandgap difference   Vipul Shivaji Ghemud
    • [Pw_forum] Unit-cell and Super-cell bandgap difference   dario rocca
• [Pw_forum] blyp   ashkan shekaari
  • [Pw_forum] blyp   dario rocca
    • [Pw_forum] blyp   ashkan shekaari
      • [Pw_forum] blyp   dario rocca
      • [Pw_forum] blyp   Paolo Giannozzi
  • [Pw_forum] BLYP   ashkan shekaari
    • [Pw_forum] BLYP   Paolo Giannozzi
      • [Pw_forum] BLYP   Paolo Giannozzi
• [Pw_forum] regarding k-points utility   Ankush Bharti
  • [Pw_forum] regarding k-points utility   Oliver Albertini
• [Pw_forum] PP   ashkan shekaari
  • [Pw_forum] PP   Paolo Giannozzi
  • [Pw_forum] PP   Lorenzo Paulatto
• [Pw_forum] P. G. Parameters   ashkan shekaari
• [Pw_forum] error *** No rule to make target `../flib/ptools.a',   Bramha Pandey
  • [Pw_forum] error *** No rule to make target `../flib/ptools.a',   Paolo Giannozzi
    • [Pw_forum] error *** No rule to make target `../flib/ptools.a',   Bramha Pandey
• [Pw_forum] A question about PSP Ti.pbe-mt_fhi.UPF and a general question about DFT+U in QE   Hanghui Chen
  • [Pw_forum] A question about PSP Ti.pbe-mt_fhi.UPF and a general question about DFT+U in QE   Paolo Giannozzi
• [Pw_forum] binding energy   Moosavi Seyed Mohamad
  • [Pw_forum] binding energy   Moosavi Seyed Mohamad
    • [Pw_forum] binding energy   Giovanni Cantele
• [Pw_forum] problem using 'vc-relax'   Ankush Bharti
• [Pw_forum] problem using "ibrav" in cp.x   周凯旋
• [Pw_forum] spin-orbit interaction + pressure   Andrey Chibisov
  • [Pw_forum] spin-orbit interaction + pressure   Максим Арсентьев
  • [Pw_forum] spin-orbit interaction + pressure   Lorenzo Paulatto
    • [Pw_forum] spin-orbit interaction + pressure   Andrey Chibisov
      • [Pw_forum] spin-orbit interaction + pressure   Максим Арсентьев
      • [Pw_forum] spin-orbit interaction + pressure   Maksim Markov
      • [Pw_forum] spin-orbit interaction + pressure   Lorenzo Paulatto
      • [Pw_forum] spin-orbit interaction + pressure   Максим Арсентьев
• [Pw_forum] Parallelization of version of QE (v. 6. 0) on cluster   Ullah, Habib
  • [Pw_forum] Parallelization of version of QE (v. 6. 0) on cluster   Paolo Giannozzi
• [Pw_forum] Question regarding QE-GPU 6 availability   Josue Itsman Clavijo Penagos
  • [Pw_forum] Question regarding QE-GPU 6 availability   Paolo Giannozzi
  • [Pw_forum] Question regarding QE-GPU 6 availability   Josue Itsman Clavijo Penagos
  • [Pw_forum] Question regarding QE-GPU 6 availability   Filippo Spiga
• [Pw_forum] kp   ashkan shekaari
  • [Pw_forum] kp   Giovanni Cantele
    • [Pw_forum] kp   meisam.a63 at gmail.com
      • [Pw_forum] kp   ashkan shekaari
      • [Pw_forum] kp   Giovanni Cantele
• [Pw_forum] B_field per Rydberg   Mems Aghaee
  • [Pw_forum] B_field per Rydberg   Paolo Giannozzi
• [Pw_forum] problem plotting graphene band structure   Shan
  • [Pw_forum] problem plotting graphene band structure   Giovanni Cantele
  • [Pw_forum] problem plotting graphene band structure   Andrey Chibisov
    • [Pw_forum] problem plotting graphene band structure   Shan
      • [Pw_forum] problem plotting graphene band structure   Shan
      • [Pw_forum] problem plotting graphene band structure   Giovanni Cantele
      • [Pw_forum] problem plotting graphene band structure   Andrey Chibisov
      • [Pw_forum] problem plotting graphene band structure   Andrey Chibisov
• [Pw_forum] spin-orbit coupling   Mortaza Aghtar
• [Pw_forum] Cannot allocate FFT (Trouble-shooting)   GAO Zhe
• [Pw_forum] tot_charge in nano structures   Zara Nosh
• [Pw_forum] workaround: add preprocessing option -Dzdotc=zdotc wrapper to DFLAGS   Jiantuo Gan
  • [Pw_forum] workaround: add preprocessing option -Dzdotc=zdotc wrapper to DFLAGS   Filippo SPIGA
    • [Pw_forum] workaround: add preprocessing option -Dzdotc=zdotc wrapper to DFLAGS   Jiantuo Gan
      • [Pw_forum] workaround: add preprocessing option -Dzdotc=zdotc wrapper to DFLAGS   Paolo Giannozzi
      • [Pw_forum] workaround: add preprocessing option -Dzdotc=zdotc wrapper to DFLAGS   Jiantuo Gan

Last message date: Wed Nov 30 16:55:11 CET 2016
Archived on: Wed Feb 28 11:16:20 CET 2018

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