June 2016 Archives by subject

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Starting: Wed Jun 1 04:32:54 CEST 2016
Ending: Thu Jun 30 19:06:09 CEST 2016
Messages: 260

• [Pw_forum] [Non-DoD Source] Re: Trouble linking fortran to c on Cray XC-40   Downs, Andrew S CTR USARMY ARL (US)
• [Pw_forum] Ab-initio MD calculations wont stop after reaching nstep   Hooman Yaghoobnejad Asl
• [Pw_forum] Ab-initio MD calculations wont stop after reaching nstep   Paolo Giannozzi
• [Pw_forum] About electron-phonon matrix elements in elph.#iq.#irr.xml   mfzhu
• [Pw_forum] Applications are now open for Master in High Performance Computing -- academic year 2016-2017   Filippo SPIGA
• [Pw_forum] Band Offsets too large   Dae Kwang Jun
• [Pw_forum] Band Offsets too large   Mostafa Youssef
• [Pw_forum] Band Offsets too large   Dae Kwang Jun
• [Pw_forum] Band Offsets too large   Mostafa Youssef
• [Pw_forum] Band Offsets too large   Dae Kwang Jun
• [Pw_forum] Band Offsets too large   Mostafa Youssef
• [Pw_forum] Band Offsets too large   Dae Kwang Jun
• [Pw_forum] band structure   Raj kamal
• [Pw_forum] Calculated Gap smaller than ones calculated by other softwore   lyzhao
• [Pw_forum] charge is wrong: smearing is needed   evan
• [Pw_forum] charge is wrong: smearing is needed   Giuseppe Mattioli
• [Pw_forum] charge is wrong: smearing is needed   evan
• [Pw_forum] Core level binding energy shift by pw.x   Xianzhong Zhou
• [Pw_forum] CPO-27-Zn scf not converge   Lorenzo Donà
• [Pw_forum] CPO-27-Zn scf not converge   Paolo Giannozzi
• [Pw_forum] CPO-27-Zn scf not converge   Lorenzo Donà
• [Pw_forum] CPO-27-Zn scf not converge   Lorenzo Donà
• [Pw_forum] CPO-27-Zn scf not converge   Dae Kwang Jun
• [Pw_forum] CPO-27-Zn scf not converge   Lorenzo Donà
• [Pw_forum] CPO-27-Zn scf not converge   Paolo Giannozzi
• [Pw_forum] CPO-27-Zn scf not converge   Lorenzo Donà
• [Pw_forum] defining atom groups   Neven Golenić
• [Pw_forum] Dipole correction in superlattice with no vacuum   Dae Kwang Jun
• [Pw_forum] Dipole correction in superlattice with no vacuum   Stefano de Gironcoli
• [Pw_forum] Dipole correction in superlattice with no vacuum   Stefano de Gironcoli
• [Pw_forum] Dipole correction in superlattice with no vacuum   Dae Kwang Jun
• [Pw_forum] Dipole correction in superlattice with no vacuum   stefano de gironcoli
• [Pw_forum] Dipole correction in superlattice with no vacuum   Dae Kwang Jun
• [Pw_forum] Does exx_fraction override input pseudopotentials?   Dae Kwang Jun
• [Pw_forum] Does exx_fraction override input pseudopotentials?   Paolo Giannozzi
• [Pw_forum] Does exx_fraction override input pseudopotentials?   Dae Kwang Jun
• [Pw_forum] dos.x and wave function files   Giovanni Cantele
• [Pw_forum] dos.x and wave function files   Paolo Giannozzi
• [Pw_forum] DOS not creating but PDOS for C60 fullerene   Raj kamal
• [Pw_forum] DOS not creating but PDOS for C60 fullerene   Paolo Giannozzi
• [Pw_forum] DOS not creating but PDOS for C60 fullerene (Paolo Giannozzi)   Raj kamal
• [Pw_forum] E-CAM Wannier90 Software Development Workshop   Nicola Marzari
• [Pw_forum] Electron-Phonon Calc with Spin-Orbit   Omololu Akin-Ojo
• [Pw_forum] Electron-phonon coupling in QE   한우현
• [Pw_forum] electronic velocities   Alaska Subedi
• [Pw_forum] electronic velocities   Alaska Subedi
• [Pw_forum] electronic velocities   Marzari Nicola
• [Pw_forum] electronic velocities   Alaska Subedi
• [Pw_forum] electronic velocities   Brumme, Thomas
• [Pw_forum] electronic velocities   Paolo Giannozzi
• [Pw_forum] electronic velocities   Alaska Subedi
• [Pw_forum] epsilon calculation in the case of a soft mode   Mostafa Youssef
• [Pw_forum] error in routine for cdiagh2 in matdyn.x   Andrew Supka
• [Pw_forum] Error in routine potinit (1): starting and expected charges differ   efi dwi indari
• [Pw_forum] Error in routine potinit (1): starting and expected charges differ   Giovanni Cantele
• [Pw_forum] error of calculation for electeon-phonon using the saved fildvscf and fildyn   oyxf328
• [Pw_forum] error of calculation for electeon-phonon using the saved fildvscf and fildyn   Paolo Giannozzi
• [Pw_forum] ERROR PROBLEM WITH SURFACE RELAXATION   Omamuyovwi Akemu
• [Pw_forum] ERROR PROBLEM WITH SURFACE RELAXATION   Ari P Seitsonen
• [Pw_forum] ERROR PROBLEM WITH SURFACE RELAXATION   Paolo Giannozzi
• [Pw_forum] ERROR PROBLEM WITH SURFACE RELAXATION   Omamuyovwi Akemu
• [Pw_forum] ESM   Nkosinathi Malaza
• [Pw_forum] evaluating band structure   Muhammad Adnan Saqlain
• [Pw_forum] evaluating band structure   nazari at iasbs.ac.ir
• [Pw_forum] evaluating band structure   Dae Kwang Jun
• [Pw_forum] evaluating band structure   Osmair Vital Osmair
• [Pw_forum] evaluating band structure   Muhammad Adnan Saqlain
• [Pw_forum] evaluating band structure   Muhammad Adnan Saqlain
• [Pw_forum] frequency dependent Dielectric permittivity tensors for phonon mode at Gamma   Mamindla Ramesh
• [Pw_forum] Full Trajectory with cppp.x   Natalie Paige Schieber
• [Pw_forum] Full Trajectory with cppp.x   Giovanni La Penna
• [Pw_forum] Full Trajectory with cppp.x   Natalie Paige Schieber
• [Pw_forum] Full Trajectory with cppp.x   Giovanni La Penna
• [Pw_forum] Full Trajectory with cppp.x   Natalie Paige Schieber
• [Pw_forum] Fwd: H-bonding in DFT   ZARA NBSH
• [Pw_forum] H-bonding in DFT   ZARA NBSH
• [Pw_forum] H-bonding in DFT   Giuseppe Mattioli
• [Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.   Lorenzo Donà
• [Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.   Stefano de Gironcoli
• [Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.   Lori 91
• [Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.   stefano de gironcoli
• [Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.   Lorenzo Donà
• [Pw_forum] How to speed up the phonon calculation for a system of 320 atoms   Coiby Xu
• [Pw_forum] Hse06   Aa Bb
• [Pw_forum] Hse06   Lorenzo Paulatto
• [Pw_forum] Hse06   Aa Bb
• [Pw_forum] Hugoniot Calculation...   Ramon Valencia
• [Pw_forum] Hugoniot Calculation...   Nicola Marzari
• [Pw_forum] Hugoniot Calculation...   Pascal Boulet
• [Pw_forum] Hybrid   Aa Bb
• [Pw_forum] inconsistent number of sticks   वैभव कावरे
• [Pw_forum] inconsistent number of sticks   Paolo Giannozzi
• [Pw_forum] Interpolation method used in getting projector in k-space   Ryky Nelson
• [Pw_forum] Interpolation method used in getting projector in k-space   Paolo Giannozzi
• [Pw_forum] Interpolation method used in getting projector in k-space   Ryky Nelson
• [Pw_forum] Interpolation method used in getting projector in k-space   Paolo Giannozzi
• [Pw_forum] Interpolation method used in getting projector in k-space   Ryky Nelson
• [Pw_forum] Invalid memory reference with GIPAW and USPPs   Sean A. Fischer, Contractor
• [Pw_forum] Invalid memory reference with GIPAW and USPPs   Paolo Giannozzi
• [Pw_forum] Invalid memory reference with GIPAW and USPPs   Sean A. Fischer, Contractor
• [Pw_forum] Invalid memory reference with GIPAW and USPPs   Paolo Giannozzi
• [Pw_forum] Invalid memory reference with GIPAW and USPPs   Sean A. Fischer, Contractor
• [Pw_forum] Kpoints - x coordinates - reg.,   Muthu V
• [Pw_forum] Kpoints - x coordinates - reg.,   Duc-Long Nguyen
• [Pw_forum] Kpoints - x coordinates - reg.,   Stefano de Gironcoli
• [Pw_forum] Layer Relaxation: Adsorption Phenomenon   Elliot Menkah
• [Pw_forum] LDA+U job does not start on QE 5.2.1   Reinaldo Pis Diez
• [Pw_forum] magnetic calculations,   ZARA NBSH
• [Pw_forum] matdyn.in.freq calculation   adurajski at wip.pcz.pl
• [Pw_forum] MaX software scientist/engineer @ EPFL   Nicola Marzari
• [Pw_forum] monoclinic system number of atom generated is incorrect   Lorenzo Donà
• [Pw_forum] monoclinic system number of atom generated is incorrect   Paolo Giannozzi
• [Pw_forum] monoclinic system number of atom generated is incorrect   Lorenzo Donà
• [Pw_forum] monoclinic system number of atom generated is incorrect   Paolo Giannozzi
• [Pw_forum] monoclinic system number of atom generated is incorrect   Lori 91
• [Pw_forum] monoclinic system number of atom generated is incorrect   Lori 91
• [Pw_forum] need technical reason -why nscf is not running in gamma point?   Raj kamal
• [Pw_forum] need technical reason -why nscf is not running in gamma point?   Giovanni Cantele
• [Pw_forum] need technical reason -why nscf is not running in gamma point? (Giovanni Cantele)   Raj kamal
• [Pw_forum] nscf calculation - k points number   Konrad Gruszka
• [Pw_forum] nscf calculation - k points number   Paolo Giannozzi
• [Pw_forum] PAW pseudopotentials   Mohssine El Bachra
• [Pw_forum] PAW pseudopotentials   Ifeanyi John ONUORAH
• [Pw_forum] PBE0 Hybrid functional SCF doesn't complete   Thierry Clette
• [Pw_forum] PBE0 Hybrid functional SCF doesn't complete   stefano de gironcoli
• [Pw_forum] PBE0 Hybrid functional SCF doesn't complete   Thierry Clette
• [Pw_forum] PBE0 Hybrid functional SCF doesn't complete   Tiana Davide
• [Pw_forum] PBEsol, PBE and revPBE   Muhammad Adnan Saqlain
• [Pw_forum] PBEsol, PBE and revPBE   Paolo Giannozzi
• [Pw_forum] PBEsol, PBE and revPBE   Muhammad Adnan Saqlain
• [Pw_forum] PDOS   Jaret Qi
• [Pw_forum] Plot   Anuja Chanana
• [Pw_forum] Point group changes when I modify ecutrho   Bahadır SALMANKURT
• [Pw_forum] Point group changes when I modify ecutrho   Paolo Giannozzi
• [Pw_forum] Point group changes when I modify ecutrho   Bahadır SALMANKURT
• [Pw_forum] problem in band structure calculation.   pranay biswas
• [Pw_forum] problem in band structure calculation.   Paolo Giannozzi
• [Pw_forum] Problem in SCF convergence with larger unit cells   reza vatan
• [Pw_forum] Problem in SCF convergence with larger unit cells   Giuseppe Mattioli
• [Pw_forum] Problem in SCF convergence with larger unit cells   reza vatan
• [Pw_forum] Problem in SCF convergence with larger unit cells   Giuseppe Mattioli
• [Pw_forum] Problem to visualize multilayer of graphene in xcrysden   Omar FAYE
• [Pw_forum] Problem with Starting_magnetization   sayan chaudhuri
• [Pw_forum] pseudo potential generation problem   pranay biswas
• [Pw_forum] pseudo potential generation problem   Paolo Giannozzi
• [Pw_forum] pw.x warning message : IEEE_DENORMAL - reg.,   Muthu V
• [Pw_forum] pw.x warning message : IEEE_DENORMAL - reg.,   Axel Kohlmeyer
• [Pw_forum] pw.x warning message : IEEE_DENORMAL - reg.,   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 107, Issue 1   Elliot Menkah
• [Pw_forum] Pw_forum Digest, Vol 107, Issue 9   Leo
• [Pw_forum] Pw_forum Digest, Vol 107, Issue 9   Lorenzo Paulatto
• [Pw_forum] pw_langevin test   Ian Dunn
• [Pw_forum] pw_langevin test   Paolo Giannozzi
• [Pw_forum] PWneb reads coordinates of images incorrectly   naseem
• [Pw_forum] PWneb reads coordinates of images incorrectly   Paolo Giannozzi
• [Pw_forum] PWneb reads coordinates of images incorrectly   naseem
• [Pw_forum] PWneb reads coordinates of images incorrectly   naseem
• [Pw_forum] PWneb reads coordinates of images incorrectly   naseem
• [Pw_forum] PWneb reads coordinates of images incorrectly   Paolo Giannozzi
• [Pw_forum] PWneb reads coordinates of images incorrectly   naseem
• [Pw_forum] PWneb reads coordinates of images incorrectly   Paolo Giannozzi
• [Pw_forum] PWscf compilation error   udayagiri sai babu
• [Pw_forum] PWscf compilation error   udayagiri sai babu
• [Pw_forum] PWscf compilation error   Jerry
• [Pw_forum] PWscf compilation error   Máximo Ramírez
• [Pw_forum] PWscf compilation error   udayagiri sai babu
• [Pw_forum] PWscf compilation error   Paolo Giannozzi
• [Pw_forum] PWscf compilation error   Máximo Ramírez
• [Pw_forum] PWscf compilation error   udayagiri sai babu
• [Pw_forum] PWscf compilation error   Axel Kohlmeyer
• [Pw_forum] PWscf compilation error   Máximo Ramírez
• [Pw_forum] PWscf compilation error   udayagiri sai babu
• [Pw_forum] QE in Parallel error   Mohammad Raihan Miah
• [Pw_forum] QE in Parallel error   Paolo Giannozzi
• [Pw_forum] QE in Parallel error   Mohammad Raihan Miah
• [Pw_forum] QE in Parallel error   Paolo Giannozzi
• [Pw_forum] QE in Parallel error   Mohammad Raihan Miah
• [Pw_forum] Quantum ESPRESSO Output   Ian Dunn
• [Pw_forum] Quantum ESPRESSO Output   Ian Dunn
• [Pw_forum] Quantum ESPRESSO Output   Jia Chen
• [Pw_forum] question about grain boundary morphology relaxation   Shenli Zhang
• [Pw_forum] Question about volume relaxation - reg   Muthu V
• [Pw_forum] Question on Estimated SCF Accuracy   Jon G
• [Pw_forum] Question on Estimated SCF Accuracy   Giuseppe Mattioli
• [Pw_forum] Question regarding CPU consuming on QE jobs   veronica sanchez
• [Pw_forum] Question regarding CPU consuming on QE jobs   Nicola Marzari
• [Pw_forum] Question regarding CPU consuming on QE jobs   Lorenzo Paulatto
• [Pw_forum] Question regarding CPU consuming on QE jobs   Suchit
• [Pw_forum] Question regarding CPU consuming on QE jobs   veronica sanchez
• [Pw_forum] Question regarding CPU consuming on QE jobs   Paolo Giannozzi
• [Pw_forum] Question regarding CPU consuming on QE jobs   veronica sanchez
• [Pw_forum] Raman calculation of graphyne   Barnali Bhattacharya
• [Pw_forum] Raman calculation of graphyne   Ari P Seitsonen
• [Pw_forum] Regarding ph.x   Manu Hegde
• [Pw_forum] Regarding ph.x   Bahadır SALMANKURT
• [Pw_forum] Regarding ph.x   Manu Hegde
• [Pw_forum] Regarding the structural relaxation   Mr. Sushant Kumar Behera
• [Pw_forum] Regarding total magnetization of a magnetic system   mohaddeseh abbasnejad
• [Pw_forum] Relaxed Structure: Reg   Suresh A
• [Pw_forum] Relaxed Structure: Reg   Konrad Gruszka
• [Pw_forum] Relaxed Structure:Reg   Suresh A
• [Pw_forum] restarting a nscf run   Pascal Boulet
• [Pw_forum] rhombohedral lattice wih R3c and R-3c: optimization   Yue-Wen Fang
• [Pw_forum] Running Test Suite: "Unknown" Error   Ian Dunn
• [Pw_forum] Running Test Suite: "Unknown" Error   Paolo Giannozzi
• [Pw_forum] Scalar or non-scalar Pseudopotential files in pwscf:Reg   Suresh A
• [Pw_forum] Segmentation Fault using pw.exe with 'relax' (Windows 10, 64 bit)   Matthew Brunetti
• [Pw_forum] Spin orbit coupling   tanmay chaki
• [Pw_forum] Spin orbit coupling   Giuseppe Mattioli
• [Pw_forum] the format of output files   wangwei
• [Pw_forum] the format of output files   Yue-Wen Fang
• [Pw_forum] the format of output files   wangweiphysics at 163.com
• [Pw_forum] There are lines where there shouldn't be in bandstructure diagrams   Dae Kwang Jun
• [Pw_forum] There are lines where there shouldn't be in bandstructure diagrams   Dae Kwang Jun
• [Pw_forum] TiS3 input problem   Jaret Qi
• [Pw_forum] TiS3 input problem   Suchit
• [Pw_forum] TiS3 input problem   Paolo Giannozzi
• [Pw_forum] TiS3 input problem   Jaret Qi
• [Pw_forum] TiS3 input problem   Paolo Giannozzi
• [Pw_forum] TiS3 input problem   Jaret Qi
• [Pw_forum] Trouble linking fortran to c on Cray XC-40   Downs, Andrew S CTR USARMY ARL (US)
• [Pw_forum] Trouble linking fortran to c on Cray XC-40   Paolo Giannozzi
• [Pw_forum] Trouble linking fortran to c on Cray XC-40   nicola varini
• [Pw_forum] uf   ashkan shekaari
• [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows   Suchit
• [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows   Axel Kohlmeyer
• [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows   Suchit
• [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows   Axel Kohlmeyer
• [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows   Suchit
• [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows   Axel Kohlmeyer
• [Pw_forum] US   ashkan shekaari
• [Pw_forum] US   Konrad Gruszka
• [Pw_forum] US   stefano de gironcoli
• [Pw_forum] vc-relaxation technical job   Francesco Pelizza
• [Pw_forum] vc-relaxation technical job   Lorenzo Paulatto
• [Pw_forum] Velocity and Temperature control in MD   Vipul Shivaji Ghemud
• [Pw_forum] Velocity re scaling in Pwscf MD calculation   Sahida Kureshi
• [Pw_forum] Velocity re scaling in Pwscf MD calculation   Paolo Giannozzi
• [Pw_forum] Velocity re scaling in Pwscf MD calculation   Sahida Kureshi
• [Pw_forum] wavefunction output in PAW calculations   Ryky Nelson
• [Pw_forum] wavefunction output in PAW calculations   stefano de gironcoli
• [Pw_forum] wavefunction output in PAW calculations   Ryky Nelson
• [Pw_forum] Wrong Symmetry   Manu Hegde
• [Pw_forum] yambo installation   Mansoureh Pashangpour
• [Pw_forum] yambo installation   Federico Iori
• [Pw_forum] yambo installation   Andrea Ferretti
• [Pw_forum] yambo installation   Mansoureh Pashangpour
• [Pw_forum] yambo installation   Bramha Pandey
• [Pw_forum] yambo installation   Mike Atambo
• [Pw_forum] yambo installation   Mansoureh Pashangpour
• [Pw_forum] yambo installation   Bramha Pandey
• [Pw_forum] yambo installation   Mansoureh Pashangpour
• [Pw_forum] yambo installation   Bramha Pandey
• [Pw_forum] yambo installation   Mike Atambo
• [Pw_forum] Zn PBE PAW pseudopotential download   Abolore Musari
• [Pw_forum] Zn PBE PAW pseudopotential download   Giovanni Cantele
• [Pw_forum] Zn PBE PAW pseudopotential download   Abolore Musari
• [Pw_forum] ​ Re: Kpoints - x coordi   Muthu V
• [Pw_forum] ​ Re: Kpoints - x coordi   stefano de gironcoli
• [Pw_forum] ​ Re: Kpoints - x coordi   stefano de gironcoli

Last message date: Thu Jun 30 19:06:09 CEST 2016
Archived on: Wed Feb 28 11:16:18 CET 2018

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