August 2015 Archives by thread

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Starting: Sat Aug 1 02:08:09 CEST 2015
Ending: Mon Aug 31 21:31:38 CEST 2015
Messages: 281

• [Pw_forum] How to calculate orbital coefficient in QE?   reza vatan
• [Pw_forum] How to calculate inverse participation ratio (IPR) using espresso?   reza vatan
• [Pw_forum] Scf calculation of Silicon cluster   sapna bondwal
• [Pw_forum] Separation between acoustic modes and optical modes   Umesh Roy
  • [Pw_forum] Separation between acoustic modes and optical modes   stefano de gironcoli
  • [Pw_forum] Separation between acoustic modes and optical modes   Derek Stewart
  • [Pw_forum] Separation between acoustic modes and optical modes   Umesh Roy
    • [Pw_forum] Separation between acoustic modes and optical modes   stefano de gironcoli
• [Pw_forum] which is px,py,pz orbitals in pdos output file   Raj kamal
  • [Pw_forum] which is px,py,pz orbitals in pdos output file   stefano de gironcoli
• [Pw_forum] how to fix zero fermi level in both pdos and bandsture calculation   Raj kamal
  • [Pw_forum] how to fix zero fermi level in both pdos and bandsture calculation   Mojtaba Mirseraji
• [Pw_forum] tot_charge flag with DFT+U calculations   J. Park
  • [Pw_forum] tot_charge flag with DFT+U calculations   Mostafa Youssef
    • [Pw_forum] tot_charge flag with DFT+U calculations   J. Park
• [Pw_forum] error and negative frequencies in phonons of Fe-doped graphene   David Foster
• [Pw_forum] vc-relax calculation   Elham
  • [Pw_forum] vc-relax calculation   David Foster
  • [Pw_forum] vc-relax calculation   Elham
    • [Pw_forum] vc-relax calculation   David Foster
• [Pw_forum] Reading dvscf   pourya
• [Pw_forum] ESM and ESM_w   Nkosinathi Malaza
  • [Pw_forum] ESM and ESM_w   Minoru Otani
• [Pw_forum] email   Elkana Tawich
• [Pw_forum] Bands error   Elkana Tawich
• [Pw_forum] hybrid XC for USPP   Sadegh Ghaderzadeh
• [Pw_forum] QE trunk version has trouble compiling fftw3   Samuel Poncé
  • [Pw_forum] QE trunk version has trouble compiling fftw3   nicola varini
    • [Pw_forum] QE trunk version has trouble compiling fftw3   Samuel Poncé
      • [Pw_forum] QE trunk version has trouble compiling fftw3   nicola varini
      • [Pw_forum] QE trunk version has trouble compiling fftw3   nicola varini
      • [Pw_forum] QE trunk version has trouble compiling fftw3   Samuel Poncé
• [Pw_forum] header intact   Elkana Tawich
• [Pw_forum] similar to WAVECAR and CHGCAR in VASP   Amir  
  • [Pw_forum] similar to WAVECAR and CHGCAR in VASP   Lorenzo Paulatto
    • [Pw_forum] similar to WAVECAR and CHGCAR in VASP   Marzari Nicola
      • [Pw_forum] similar to WAVECAR and CHGCAR in VASP   Lorenzo Paulatto
  • [Pw_forum] similar to WAVECAR and CHGCAR in VASP   Paolo Giannozzi
• [Pw_forum] Numeric of   Filippo Spiga
• [Pw_forum] making doc for TDDFPT   David Foster
  • [Pw_forum] making doc for TDDFPT   Iurii Timrov
    • [Pw_forum] making doc for TDDFPT   David Foster
      • [Pw_forum] making doc for TDDFPT   Iurii Timrov
  • [Pw_forum] making doc for TDDFPT   Paolo Giannozzi
• [Pw_forum] problem restarting calculation with hybrid-ultrasoft pseudo potential using QE 5.2   Behnaz Bagheri
  • [Pw_forum] problem restarting calculation with hybrid-ultrasoft pseudo potential using QE 5.2   David Foster
• [Pw_forum] K   ashkan shekaari
• [Pw_forum] (no subject)   mohammed shambakey
  • [Pw_forum] (no subject)   Bahadır salmankurt
  • [Pw_forum] (no subject)   dario rocca
  • [Pw_forum] (no subject)   nazari at iasbs.ac.ir
  • [Pw_forum] (no subject)   Mahya Zare
    • [Pw_forum] (no subject)   Mahya Zare
      • [Pw_forum] (no subject)   Ari P Seitsonen
      • [Pw_forum] (no subject)   Ari P Seitsonen
  • [Pw_forum] (no subject)   Mahya Zare
  • [Pw_forum] (no subject)   Anton Kozhevnikov
• [Pw_forum] Dear all, DOS alignment in MoS2   Wei Zhang
• [Pw_forum] Convergence of relax of slab calculation   ben liew
  • [Pw_forum] Convergence of relax of slab calculation   Bahadır salmankurt
  • [Pw_forum] Convergence of relax of slab calculation   Ari P Seitsonen
    • [Pw_forum] Convergence of relax of slab calculation   Bahadır salmankurt
      • [Pw_forum] Convergence of relax of slab calculation   ben liew
      • [Pw_forum] Convergence of relax of slab calculation   Ari P Seitsonen
      • [Pw_forum] Convergence of relax of slab calculation   Mahya Zare
      • [Pw_forum] Convergence of relax of slab calculation   ben liew
• [Pw_forum] Ph.D. position available at the Dept. of Physics and Earth Sciences of the University of Parma   Pietro Bonfa'
• [Pw_forum] VCA calculations with PWscf for partially occupied sites   Kiss, Ioan
• [Pw_forum] Choice of Pseudopotential   sapna bondwal
  • [Pw_forum] Choice of Pseudopotential   庞瑞(PANG Rui)
  • [Pw_forum] Choice of Pseudopotential   Elham
  • [Pw_forum] Choice of Pseudopotential   Elham
  • [Pw_forum] Choice of Pseudopotential   Mostafa Youssef
  • [Pw_forum] Choice of Pseudopotential   Elham
• [Pw_forum] relax of 216 atoms (cubic structure)   Yevgen Melikhov
  • [Pw_forum] relax of 216 atoms (cubic structure)   Paolo Giannozzi
    • [Pw_forum] relax of 216 atoms (cubic structure)   Yevgen Melikhov
• [Pw_forum] Using -nimage with phonon at q=0   Merlin Meheut
  • [Pw_forum] Using -nimage with phonon at q=0   Andrea Dal Corso
    • [Pw_forum] Using -nimage with phonon at q=0   Merlin Meheut
      • [Pw_forum] Using -nimage with phonon at q=0   Mahya Zare
      • [Pw_forum] Using -nimage with phonon at q=0   Andrea Dal Corso
• [Pw_forum] Calculation of Conductance-quantum espresso   Mohan maruthi sena
  • [Pw_forum] Fwd: Calculation of Conductance-quantum espresso   Mohan maruthi sena
• [Pw_forum] Sp   ashkan shekaari
• [Pw_forum] Calculation of Physical quantities using pw.x executable.   sapna bondwal
• [Pw_forum] Final iteration often crashes after structure optimization   Cohen, Ronald
  • [Pw_forum] Final iteration often crashes after structure optimization   nicola varini
    • [Pw_forum] Final iteration often crashes after structure optimization   Ronald Cohen
      • [Pw_forum] Final iteration often crashes after structure optimization   nicola varini
• [Pw_forum] Fwd: Final iteration often crashes after structure optimization   Cohen, Ronald
  • [Pw_forum] Fwd: Final iteration often crashes after structure optimization   Youssef
    • [Pw_forum] Fwd: Final iteration often crashes after structure optimization   Cohen, Ronald
      • [Pw_forum] Fwd: Final iteration often crashes after structure optimization   Paolo Giannozzi
      • [Pw_forum] Fwd: Final iteration often crashes after structure optimization   Paolo Giannozzi
• [Pw_forum] phonon calculation from 4.0.3 v error   pourya
  • [Pw_forum] phonon calculation from 4.0.3 v error   Paolo Giannozzi
• [Pw_forum] error: tcp_peer_recv_connect_ack   Ludwig, Stephan
  • [Pw_forum] error: tcp_peer_recv_connect_ack   Mahya Zare
    • [Pw_forum] error: tcp_peer_recv_connect_ack   Axel Kohlmeyer
      • [Pw_forum] error: tcp_peer_recv_connect_ack   David Foster
  • [Pw_forum] error: tcp_peer_recv_connect_ack   Ludwig, Stephan
  • [Pw_forum] error: tcp_peer_recv_connect_ack   Axel Kohlmeyer
• [Pw_forum] Wrong k-string? in nscf+lelfield   Mojtaba Mirseraji
  • [Pw_forum] Wrong k-string? in nscf+lelfield   David Foster
    • [Pw_forum] Wrong k-string? in nscf+lelfield   Mojtaba Mirseraji
• [Pw_forum] Q2R code and phonon at gamma   David Foster
  • [Pw_forum] Q2R code and phonon at gamma   Prasenjit Ghosh
• [Pw_forum] keep getting negative frequencies in phonon calculation   Khalid Ibne Masood Khalid
  • [Pw_forum] keep getting negative frequencies in phonon calculation   David Foster
    • [Pw_forum] keep getting negative frequencies in phonon calculation   Khalid Ibne Masood Khalid
• [Pw_forum] charge density   Raj kamal
• [Pw_forum] Cp   ashkan shekaari
  • [Pw_forum] Cp   ashkan shekaari
• [Pw_forum] Dielectric constant of Monolyer MoS2 in .ph   Kanak Datta
  • [Pw_forum] Dielectric constant of Monolyer MoS2 in .ph   Bahadır salmankurt
    • [Pw_forum] Dielectric constant of Monolyer MoS2 in .ph   dario rocca
• [Pw_forum] Pw_forum Digest, Vol 97, Issue 9   Kanak Datta
• [Pw_forum] Calculation of Physical quantity using pw.x executable.   sapna bondwal
  • [Pw_forum] Calculation of Physical quantity using pw.x executable.   Pascal Boulet
• [Pw_forum] Band structure calculation using Quantum ESPRESSO   sapna bondwal
  • [Pw_forum] Band structure calculation using Quantum ESPRESSO   Mohan maruthi sena
  • [Pw_forum] Band structure calculation using Quantum ESPRESSO   Axel Kohlmeyer
• [Pw_forum] A problem of parallel excuting pwcond.x   庞瑞(PANG Rui)
  • [Pw_forum] A problem of parallel excuting pwcond.x   Paolo Giannozzi
    • [Pw_forum] A problem of parallel excuting pwcond.x   庞瑞(PANG Rui)
• [Pw_forum] electron-phonon matrix element   pourya
• [Pw_forum] Langevin dynamics   Venkataramana Imandi
  • [Pw_forum] Langevin dynamics   Paolo Giannozzi
  • [Pw_forum] Langevin dynamics   Venkataramana Imandi
    • [Pw_forum] Langevin dynamics   xiaochuan Ge
      • [Pw_forum] Langevin dynamics   Mahya Zare
• [Pw_forum] Fwd: Msd   ashkan shekaari
• [Pw_forum] Input_keyword_Explanation[Basic]   Abir Shadman
  • [Pw_forum] Input_keyword_Explanation[Basic]   Bahadır salmankurt
• [Pw_forum] Negative density of states   Henry J Seeley
  • [Pw_forum] Negative density of states   stefano de gironcoli
• [Pw_forum] electron-phonon coupling   pourya
• [Pw_forum] what should be the max errors for neb.x   David Foster
• [Pw_forum] phonon on grid calculation in windows:   Khalid Ibne Masood Khalid
• [Pw_forum] requesting references for dielectric constant   Khalid Ibne Masood Khalid
  • [Pw_forum] requesting references for dielectric constant   stefano de gironcoli
    • [Pw_forum] requesting references for dielectric constant   Khalid Ibne Masood Khalid
• [Pw_forum] Computer cluster Parallel run:-Reg   Suresh A
  • [Pw_forum] Computer cluster Parallel run:-Reg   mohammed shambakey
  • [Pw_forum] Computer cluster Parallel run:-Reg   Axel Kohlmeyer
    • [Pw_forum] Computer cluster Parallel run:-Reg   Bahadır salmankurt
  • [Pw_forum] Computer cluster Parallel run:-Reg   Suresh A
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 6   Amreen Bano
• [Pw_forum] DFT+U calculatoopns   Muhammad Adnan
  • [Pw_forum] DFT+U calculatoopns   Mostafa Youssef
• [Pw_forum] Problem to restart calculus in PWscf   Yenner Bentarcurt
  • [Pw_forum] Problem to restart calculus in PWscf   dario rocca
    • [Pw_forum] Problem to restart calculus in PWscf   Yenner Bentarcurt
• [Pw_forum] Ga norm-conserving PP with ld1.x   Amit Sharma
• [Pw_forum] DFT+U calculations   Muhammad Adnan
  • [Pw_forum] DFT+U calculations   Jia Chen
  • [Pw_forum] DFT+U calculations   Mostafa Youssef
    • [Pw_forum] DFT+U calculations   Muhammad Adnan
  • [Pw_forum] DFT+U calculations   Mostafa Youssef
    • [Pw_forum] DFT+U calculations   Muhammad Adnan
• [Pw_forum] COMPILING GPU PLUGIN-QE IN CUDA 6.5 [GPU-QE]   Yenner Bentarcurt
• [Pw_forum] Some confusions with the crystal lattice vectors   max
• [Pw_forum] Compilation crash with intel13   Samuel Poncé
  • [Pw_forum] Compilation crash with intel13   Axel Kohlmeyer
    • [Pw_forum] Compilation crash with intel13   Samuel Poncé
      • [Pw_forum] Compilation crash with intel13   Axel Kohlmeyer
• [Pw_forum] q2r no flfrc produced   Ludwig, Stephan
• [Pw_forum] Difference between v.5.0.2 and v5.2.0   Q.J.Wang
• [Pw_forum] mistake in impose_deviatoric_strain_2d   Niels Walet
• [Pw_forum] cell is blowing during Langevin dynamics   Venkataramana Imandi
  • [Pw_forum] cell is blowing during Langevin dynamics   Ari P Seitsonen
• [Pw_forum] segmentation fault   Vishal Gupta
  • [Pw_forum] segmentation fault   Axel Kohlmeyer
    • [Pw_forum] segmentation fault   Vishal Gupta
      • [Pw_forum] segmentation fault   Axel Kohlmeyer
      • [Pw_forum] segmentation fault   Iurii Timrov
  • [Pw_forum] segmentation fault   庞瑞(PANG Rui)
  • [Pw_forum] segmentation fault   Vishal Gupta
    • [Pw_forum] segmentation fault   Bahadır salmankurt
• [Pw_forum] output not written in .dynG file   Mohan maruthi sena
• [Pw_forum] Re fully relativistic pseudo potential   Mohsen Modaresi
  • [Pw_forum] Re fully relativistic pseudo potential   庞瑞(PANG Rui)
    • [Pw_forum] Re fully relativistic pseudo potential   Mohsen Modaresi
• [Pw_forum] PP.X plots : units used   Евгений Пермяков
• [Pw_forum] unknown mode symmetry in phonon calculation   Khalid Ibne Masood Khalid
  • [Pw_forum] unknown mode symmetry in phonon calculation   Paolo Giannozzi
    • [Pw_forum] unknown mode symmetry in phonon calculation   Khalid Ibne Masood Khalid
• [Pw_forum] Questions about parallelization parameters   mohammed shambakey
  • [Pw_forum] Questions about parallelization parameters   Paolo Giannozzi
    • [Pw_forum] Questions about parallelization parameters   mohammed shambakey
• [Pw_forum] Fwd: epsilon.x calculation   ZARA NBSH
  • [Pw_forum] Fwd: epsilon.x calculation   Andrea Ferretti
• [Pw_forum] about hubbard_l and hubbard_occ of Magnesium   zafar rasheed
  • [Pw_forum] about hubbard_l and hubbard_occ of Magnesium   Matteo Cococcioni
• [Pw_forum] Existing USPPs for Potassium   Eric Glen Suter
  • [Pw_forum] Existing USPPs for Potassium   Youssef
• [Pw_forum] Serial vs. parallel runs of berry.in test case   Mostafa Youssef
  • [Pw_forum] Serial vs. parallel runs of berry.in test case   Paolo Giannozzi
    • [Pw_forum] Serial vs. parallel runs of berry.in test case   Paolo Giannozzi
  • [Pw_forum] Serial vs. parallel runs of berry.in test case   Mostafa Youssef
    • [Pw_forum] Serial vs. parallel runs of berry.in test case   Paolo Giannozzi
  • [Pw_forum] Serial vs. parallel runs of berry.in test case   Mostafa Youssef
• [Pw_forum] using QE with extremely high pressures   Uri Argaman
• [Pw_forum] Problem " S matrix not positive definite" using 'bands'   Kanak Datta
• [Pw_forum] Range separated hybrid functional in Quantum ESPRESSO   Zhenfei Liu
  • [Pw_forum] Range separated hybrid functional in Quantum ESPRESSO   Paolo Giannozzi
• [Pw_forum] Error in compiling QE with libxc   Piyush Kumar
  • [Pw_forum] Error in compiling QE with libxc   Ari P Seitsonen
    • [Pw_forum] Error in compiling QE with libxc   Piyush Kumar
      • [Pw_forum] Error in compiling QE with libxc   Ari P Seitsonen
      • [Pw_forum] Error in compiling QE with libxc   Piyush Kumar
• [Pw_forum] S matrix not positive definite   chaitanya varma
• [Pw_forum] Reply to all   Venkataramana Imandi
• [Pw_forum] Pw_forum Digest, Vol 97, Issue 20   Amreen Bano
• [Pw_forum] add electron, hole to system   ZARA NBSH
  • [Pw_forum] add electron, hole to system   Nicola Marzari
• [Pw_forum] relax supercell   Nkosinathi Malaza
• [Pw_forum] xspectra.x(XAS calculation)   vivek shukla
• [Pw_forum] Transport Properties   Amreen Bano
• [Pw_forum] Transport Properties (Amreen Bano)   Bang C. Huynh
• [Pw_forum] nscf+lelfield -----> Wrong k-string? Error   Mojtaba Mirseraji
  • [Pw_forum] nscf+lelfield -----> Wrong k-string? Error   Mostafa Youssef
• [Pw_forum] nanosheet   Mahya Zare
• [Pw_forum] about MPI and OpenMP threads for QE-GPU   Mutlu COLAKOGULLARI
• [Pw_forum] Surface Passivation in slabs of III-V material using pseudo hydrogen   Piyush Kumar
• [Pw_forum] Failed in tests and examples   ewan
  • [Pw_forum] Failed in tests and examples   Mostafa Youssef
    • [Pw_forum] Failed in tests and examples   evan
      • [Pw_forum] Failed in tests and examples   Paolo Giannozzi
      • [Pw_forum] Failed in tests and examples   evan
  • [Pw_forum] Failed in tests and examples   Mostafa Youssef
    • [Pw_forum] Failed in tests and examples   evan
      • [Pw_forum] Failed in tests and examples   Lorenzo Paulatto
  • [Pw_forum] Failed in tests and examples   Mostafa Youssef
• [Pw_forum] Displaying charge density difference   Ozan Dernek
  • [Pw_forum] Displaying charge density difference   Axel Kohlmeyer
  • [Pw_forum] Displaying charge density difference   Pascal BOULET
• [Pw_forum] MPI error when trying to run NEB v.5.2.0   Abhishek Bagusetty
• [Pw_forum] sh: 1: Error in running of ElaStic code   Mojtaba Mirseraji
  • [Pw_forum] sh: 1: Error in running of ElaStic code   Bahadır salmankurt
    • [Pw_forum] sh: 1: Error in running of ElaStic code   Mojtaba Mirseraji
      • [Pw_forum] sh: 1: Error in running of ElaStic code   Bahadır salmankurt
      • [Pw_forum] sh: 1: Error in running of ElaStic code   Mojtaba Mirseraji
• [Pw_forum] Question on pseudopotential   Sridhar Sadasivam
  • [Pw_forum] Question on pseudopotential   Mostafa Youssef
    • [Pw_forum] Question on pseudopotential   Sridhar Sadasivam
• [Pw_forum] How to set nosym for a spin-orbit calculation   Lingling Tao
  • [Pw_forum] How to set nosym for a spin-orbit calculation   庞瑞(PANG Rui)
  • [Pw_forum] How to set nosym for a spin-orbit calculation   linglingtao2014 at gmail.com
    • [Pw_forum] How to set nosym for a spin-orbit calculation   庞瑞(PANG Rui)
  • [Pw_forum] How to set nosym for a spin-orbit calculation   linglingtao2014 at gmail.com
• [Pw_forum] Calculating cell constants in different tempretures   reza vatan
  • [Pw_forum] Calculating cell constants in different tempretures   Pascal Boulet
• [Pw_forum] Segmentaion fault and cell parameters   Vishal Gupta
  • [Pw_forum] Segmentaion fault and cell parameters   Piyush Kumar
    • [Pw_forum] Segmentaion fault and cell parameters   Vishal Gupta
• [Pw_forum] dt (Time steps)   Ramon Valencia Maturana
• [Pw_forum] Bug in ph.x sometimes occur in hexagonal phases   Uri Argaman
  • [Pw_forum] Bug in ph.x sometimes occur in hexagonal phases   Andrea Dal Corso
  • [Pw_forum] Bug in ph.x sometimes occur in hexagonal phases   Uri Argaman
  • [Pw_forum] Bug in ph.x sometimes occur in hexagonal phases   Andrea Dal Corso
  • [Pw_forum] Bug in ph.x sometimes occur in hexagonal phases   Uri Argaman
• [Pw_forum] XSpectra and US or PAW pseudos?   Adrian Hühn
  • [Pw_forum] XSpectra and US or PAW pseudos?   Delphine Cabaret
    • [Pw_forum] XSpectra and US or PAW pseudos?   Adrian Hühn
      • [Pw_forum] XSpectra and US or PAW pseudos?   Delphine Cabaret
  • [Pw_forum] XSpectra and US or PAW pseudos?   Yevgen Melikhov
    • [Pw_forum] XSpectra and US or PAW pseudos?   Adrian Hühn
      • [Pw_forum] XSpectra and US or PAW pseudos?   Yevgen Melikhov
  • [Pw_forum] XSpectra and US or PAW pseudos?   Matteo Calandra
    • [Pw_forum] XSpectra and US or PAW pseudos?   Adrian Hühn
      • [Pw_forum] XSpectra and US or PAW pseudos?   Lorenzo Paulatto
      • [Pw_forum] XSpectra and US or PAW pseudos?   Adrian Hühn
      • [Pw_forum] XSpectra and US or PAW pseudos?   Lorenzo Paulatto
• [Pw_forum] Electron affinity extraction   Kanak Datta
• [Pw_forum] Unit of electron phonon matrix elements in ph.x   WangRiping
• [Pw_forum] ph with vdw-dft   Kanak Datta
• [Pw_forum] Problem with startingpot   Yenner Bentarcurt
  • [Pw_forum] Problem with startingpot   Paolo Giannozzi
• [Pw_forum] input file pbtio3 tetragonal   Jaret Qi

Last message date: Mon Aug 31 21:31:38 CEST 2015
Archived on: Wed Feb 28 11:13:06 CET 2018

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