May 2017 Archives by subject

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Starting: Mon May 1 03:05:21 CEST 2017
Ending: Wed May 31 20:33:46 CEST 2017
Messages: 216

• [Pw_forum] (no subject)   Nasim Ha
• [Pw_forum] (no subject)   shivam kansara
• [Pw_forum] (no subject)   Tone Kokalj
• [Pw_forum] (no subject)   Nasim Ha
• [Pw_forum] .co_re and .co_im output files in pwcond.x   David Muñoz Ramo
• [Pw_forum] Acoustic sum rule in 2D surfaces   Charlie Ruffman
• [Pw_forum] Acoustic sum rule in 2D surfaces   Lorenzo Paulatto
• [Pw_forum] Acoustic sum rule in 2D surfaces   Charlie Ruffman
• [Pw_forum] Acoustic sum rule in 2D surfaces   Lorenzo Paulatto
• [Pw_forum] Apparition of a non-90° angle in a QE optimisation   hqtst42
• [Pw_forum] bader population and pp.x nfile tool arge   Aldo Ugolotti
• [Pw_forum] bader population and pp.x nfile tool arge   Alberto Otero de la Roza
• [Pw_forum] bader population and pp.x nfile tool arge   Aldo Ugolotti
• [Pw_forum] building surfaces using gdis   Winfred Mulwa
• [Pw_forum] building surfaces using gdis   Pascal Boulet
• [Pw_forum] building surfaces using gdis   William DeBenedetti
• [Pw_forum] building surfaces using gdis   Jiban Kangsabanik
• [Pw_forum] Can we simulate shearing effect using ab initio MD in Quantum Espresso   Nam Tran
• [Pw_forum] Computing zero point energies for adsorbates   weitzner at psu.edu
• [Pw_forum] Computing zero point energies for adsorbates   Nicola Marzari
• [Pw_forum] Computing zero point energies for adsorbates   Ian Shuttleworth
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Q.J.Wang
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Paolo Giannozzi
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   ashkan shekaari
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Lorenzo Paulatto
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Lorenzo Paulatto
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Matteo Cococcioni
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Q.J.Wang
• [Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0   Paolo Giannozzi
• [Pw_forum] Create a supercell   adurajski at wip.pcz.pl
• [Pw_forum] Create a supercell   Michael Mehl
• [Pw_forum] Create a supercell   Michael Mehl
• [Pw_forum] cut-off energy doesnt optimized   project way
• [Pw_forum] cut-off energy doesnt optimized   Francesco Pelizza
• [Pw_forum] decomposition of dispersive forces by atoms   Christoph Wolf(신소재공학과)
• [Pw_forum] DOS   Shishir Timilsena
• [Pw_forum] DOS   Giuseppe Mattioli
• [Pw_forum] DOS   Максим Арсентьев
• [Pw_forum] ELF plotting problem   Rita Maji
• [Pw_forum] ELF plotting problem   Pablo García Risueño
• [Pw_forum] ELF plotting problem   Rita Maji
• [Pw_forum] ELF plotting problem   Prasenjit Ghosh
• [Pw_forum] Energy eigen values of HVB and LCB at any specific K-points   Sohail Ahmad
• [Pw_forum] Error   Mukhtar Lawal Adam
• [Pw_forum] Error during DFT+U calculation using pw.x   Sai Phani
• [Pw_forum] Error during DFT+U calculation using pw.x   Matteo Cococcioni
• [Pw_forum] Error during phonon calculation   adurajski at wip.pcz.pl
• [Pw_forum] Figure of merit(ZT)   ade wale
• [Pw_forum] Figure of merit(ZT)   Pascal Boulet
• [Pw_forum] Figure of Merit(ZT)   ade wale
• [Pw_forum] figure of merit ZT   ade wale
• [Pw_forum] Fwd: how to calculation absorpation light in the quantum espresso   ali mehdizadeh
• [Pw_forum] Gipaw - Magnetic susceptibility   Ambrozio
• [Pw_forum] Gipaw - Magnetic susceptibility   Davide Ceresoli
• [Pw_forum] Gipaw - Magnetic susceptibility   Ambrozio
• [Pw_forum] high symmetry point missing in output of bands.x in   balabi
• [Pw_forum] high symmetry point missing in output of bands.x in   Andrea Dal Corso
• [Pw_forum] high symmetry point missing in output of bands.x in   balabi
• [Pw_forum] high symmetry point missing in output of bands.x in case of ibrav=7   balabi
• [Pw_forum] high symmetry point missing in output of bands.x in case of ibrav=7   Andrea Dal Corso
• [Pw_forum] how to calculation absorpation light in the quantum espresso   ali mehdizadeh
• [Pw_forum] how to calculation absorpation light in the quantum espresso   Christoph Wolf(신소재공학과)
• [Pw_forum] how to determine the symmetry of a given phonon mode in quantum espresso   Mihiri Hewa bosthanthirige
• [Pw_forum] how to determine the symmetry of a given phonon mode in quantum espresso   Lorenzo Paulatto
• [Pw_forum] how to determine the symmetry of a given phonon mode in quantum espresso   Mihiri Hewa bosthanthirige
• [Pw_forum] How to find 2D Fermi surface view from bxsf fs file   sudipta
• [Pw_forum] How to find 2D Fermi surface view from bxsf fs file   Mitsuaki Kawamura
• [Pw_forum] How to get band structure with hse correction in pwscf?   LEUNG Clarence
• [Pw_forum] How to get band structure with hse correction in pwscf?   Giuseppe Mattioli
• [Pw_forum] How to install QE on mac   Gunar UFPA
• [Pw_forum] How to install QE on mac   Paolo Giannozzi
• [Pw_forum] How to install QE on mac   Gunar UFPA
• [Pw_forum] Implementation of Van der Waals Interactions   Christian A. Celaya López
• [Pw_forum] Implementation of Van der Waals Interactions   Biswajit Santra
• [Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4   Dmitry Korotin
• [Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4   Paolo Giannozzi
• [Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4   Dmitry Korotin
• [Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4   Dmitry Korotin
• [Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4   Paolo Giannozzi
• [Pw_forum] Input file correction for sodium Adsorption in Pure graphene   nipesh dulal
• [Pw_forum] Input file correction for sodium Adsorption in Pure graphene   Giovanni Cantele
• [Pw_forum] Input file correction for sodium Adsorption in Pure graphene   nipesh dulal
• [Pw_forum] Input file correction for sodium Adsorption in Pure graphene   Harsha Vardhan
• [Pw_forum] Input file correction for sodium Adsorption in Pure graphene   nipesh dulal
• [Pw_forum] Lattice_parameters   aprateek at iisermohali.ac.in
• [Pw_forum] Lattice_parameters   Bramha Pandey
• [Pw_forum] limited RAM for vc-relax quantum-dots   ali mehdizadeh
• [Pw_forum] Looking for some guidance with failing tests   Barry Moore
• [Pw_forum] Looking for some guidance with failing tests   Paolo Giannozzi
• [Pw_forum] Looking for some guidance with failing tests   Barry Moore
• [Pw_forum] Looking for some guidance with failing tests   Paolo Giannozzi
• [Pw_forum] Looking for some guidance with failing tests   Barry Moore
• [Pw_forum] Looking for some guidance with failing tests   Barry Moore
• [Pw_forum] Looking for some guidance with failing tests   Paolo Giannozzi
• [Pw_forum] Looking for some guidance with failing tests   Barry Moore
• [Pw_forum] Looking for some guidance with failing tests   Ari P Seitsonen
• [Pw_forum] Looking for some guidance with failing tests   Paolo Giannozzi
• [Pw_forum] Looking for some guidance with failing tests   Barry Moore
• [Pw_forum] Method to interpolate q-mesh in calculation of electron-phonon interaction.   Rakesh Parayil
• [Pw_forum] Need help with Supercell calculation   sayan chaudhuri
• [Pw_forum] Need help with Supercell calculation   Ari P Seitsonen
• [Pw_forum] Need help with Supercell calculation   sayan chaudhuri
• [Pw_forum] Need help with Supercell calculation   Ari P Seitsonen
• [Pw_forum] Need help with Supercell calculation   sayan chaudhuri
• [Pw_forum] Negative Density of State   Isaiah Moses
• [Pw_forum] Negative Density of State   Isaiah Moses
• [Pw_forum] negetive phonon dispersion   Min Hong
• [Pw_forum] NRL Crystallographic Database Reborn   Michael Mehl
• [Pw_forum] parallel installation comments   Scott Brozell
• [Pw_forum] parallel installation comments   Paolo Giannozzi
• [Pw_forum] parallel installation comments   Scott Brozell
• [Pw_forum] Possible bug   Pablo García Risueño
• [Pw_forum] Possible bug   Paolo Giannozzi
• [Pw_forum] prblem when running pp.x   Nasim Ha
• [Pw_forum] Precision of QE Output   Wilbert James Futalan
• [Pw_forum] Precision of QE Output   Paolo Giannozzi
• [Pw_forum] Precision of QE Output   Jess Wellendorff
• [Pw_forum] problem during pw4gww.x calculations   Mortaza Aghtar
• [Pw_forum] problem during pw4gww.x calculations   Paolo Giannozzi
• [Pw_forum] problem during pw4gww.x calculations   Mortaza Aghtar
• [Pw_forum] problem during pw4gww.x calculations   Carlo Nervi
• [Pw_forum] problem during pw4gww.x calculations   Paolo Giannozzi
• [Pw_forum] problem during pw4gww.x calculations   Carlo Nervi
• [Pw_forum] problem of Bi2Se3 with spin orbit coupling parity analysis at TRIM points   balabi
• [Pw_forum] problem of Bi2Se3 with spin orbit coupling parity analysis at TRIM points   Andrea Dal Corso
• [Pw_forum] problem of Bi2Se3 with spin orbit coupling parity analysis at TRIM points   balabi
• [Pw_forum] problem of Bi2Se3 with spin orbit coupling parity analysis at TRIM points   Andrea Dal Corso
• [Pw_forum] problem with relaxing diamond atom position   balabi
• [Pw_forum] problem with relaxing diamond atom position   Paolo Giannozzi
• [Pw_forum] problem with relaxing diamond atom position   balabi
• [Pw_forum] Pw_forum Digest, Vol 118, Issue 12   Mohammadreza Hosseini
• [Pw_forum] Pw_forum Digest, Vol 118, Issue 12   Ari P Seitsonen
• [Pw_forum] Pw_forum mailing list submissions   Rahmat Gunawan
• [Pw_forum] QE for aqueous solution?   D J Anick
• [Pw_forum] QE for aqueous solution?   ashkan shekaari
• [Pw_forum] QE for aqueous solution?   ashkan shekaari
• [Pw_forum] QE for aqueous solution?   Giuseppe Mattioli
• [Pw_forum] QE for aqueous solution?   ashkan shekaari
• [Pw_forum] QE for aqueous solution?   ashkan shekaari
• [Pw_forum] QE for aqueous solution?   Giuseppe Mattioli
• [Pw_forum] QE for aqueous solution?   ashkan shekaari
• [Pw_forum] QE for aqueous solution?   ashkan shekaari
• [Pw_forum] QE for aqueous solution?   Nicola Marzari
• [Pw_forum] Quantum Espresso could calculate a velocity autocorrelation function?   현해리
• [Pw_forum] Quantum Espresso related problem   Anindya Bose
• [Pw_forum] Quantum Espresso related problem   Anindya Bose
• [Pw_forum] query   aprateek at iisermohali.ac.in
• [Pw_forum] query   Duc-Long Nguyen
• [Pw_forum] query   Paolo Giannozzi
• [Pw_forum] query   aprateek at iisermohali.ac.in
• [Pw_forum] query   Giovanni Cantele
• [Pw_forum] Reg: plotting of phonon line width along high symmetry directions   Peram sreenivasa reddy
• [Pw_forum] Reg: plotting of phonon line width along high symmetry directions   Mitsuaki Kawamura
• [Pw_forum] Reg: plotting of phonon line width along high symmetry directions   Peram sreenivasa reddy
• [Pw_forum] Reg: plotting of phonon line width along high symmetry directions   Mitsuaki Kawamura
• [Pw_forum] Reg: plotting of phonon line width along high symmetry directions   Peram sreenivasa reddy
• [Pw_forum] Reg: Tetra_example in QE_6.1 example PHnon/tetra_example   Peram sreenivasa reddy
• [Pw_forum] Regarding choosing of pseudo-potentials (PPs)   Phanikumar Pentyala
• [Pw_forum] Regarding controlled dynamics   Vipul Shivaji Ghemud
• [Pw_forum] Regarding controlled dynamics   Lorenzo Paulatto
• [Pw_forum] Regarding controlled dynamics   Vipul Shivaji Ghemud
• [Pw_forum] Regarding controlled dynamics   Matic Poberznik
• [Pw_forum] Regarding controlled dynamics   Marzari Nicola
• [Pw_forum] Relax Linear chain with constraint   Marco Di Gennaro
• [Pw_forum] Relax Linear chain with constraint   Federico Iori
• [Pw_forum] Running Spin-Polarized Calculations from Non Spin-polarized Calculations   Paolo Giannozzi
• [Pw_forum] shape of the wave function in reciprocal space   Jacopo Simoni
• [Pw_forum] shape of the wave function in reciprocal space   Paolo Giannozzi
• [Pw_forum] shape of the wave function in reciprocal space   Lorenzo Paulatto
• [Pw_forum] shape of the wave function in reciprocal space   Jacopo Simoni
• [Pw_forum] shape of the wave function in reciprocal space   Paolo Giannozzi
• [Pw_forum] shape of the wave function in reciprocal space   Jacopo Simoni
• [Pw_forum] shape of the wave function in reciprocal space   Issam AD Issam
• [Pw_forum] shape of the wave function in reciprocal space   Ari P Seitsonen
• [Pw_forum] shape of the wave function in reciprocal space   Issam AD Issam
• [Pw_forum] shape of the wave function in reciprocal space   Ari P Seitsonen
• [Pw_forum] shape of the wave function in reciprocal space   Issam AD Issam
• [Pw_forum] shape of the wave function in reciprocal space   Ari P Seitsonen
• [Pw_forum] Slow convergence of Fe-111 surface by QE   Narendranath Ghosh
• [Pw_forum] Slow convergence of Fe-111 surface by QE   ashkan shekaari
• [Pw_forum] Slow convergence of Fe-111 surface by QE   Ari P Seitsonen
• [Pw_forum] Slow convergence of Fe-111 surface by QE   Narendranath Ghosh
• [Pw_forum] supercell band structure   Mohammadreza Hosseini
• [Pw_forum] supercell band structure   Pietro Bonfa'
• [Pw_forum] supercell band structure   ashkan shekaari
• [Pw_forum] supercell band structure   Karim Elgammal
• [Pw_forum] supercell band structure   Joshua Young
• [Pw_forum] symmetry analysis in output of bands.x got a question mark for some band   balabi
• [Pw_forum] symmetry analysis in output of bands.x got a question mark for some band   Andrea Dal Corso
• [Pw_forum] symmetry analysis in output of bands.x got a question mark for some band   balabi
• [Pw_forum] Symmetry k-points paths for monoclinic   Isaiah Moses
• [Pw_forum] Symmetry k-points paths for monoclinic   Nicola Marzari
• [Pw_forum] Symmetry k-points paths for monoclinic   Isaiah Moses
• [Pw_forum] Tetrahedra occupations not provided for DOS.   B S Bhushan
• [Pw_forum] Tetrahedra occupations not provided for NSCF and DOS   B S Bhushan
• [Pw_forum] Tetrahedra occupations not provided for NSCF and DOS   Lorenzo Paulatto
• [Pw_forum] Tetrahedra occupations not provided for NSCF and DOS   B S Bhushan
• [Pw_forum] Thanks   Nasim Ha
• [Pw_forum] Too much memory required   Pablo Álvarez Zapatero
• [Pw_forum] Too much memory required   Paolo Giannozzi
• [Pw_forum] Transport properties   ade wale
• [Pw_forum] Transport properties   Thomas Brumme
• [Pw_forum] US not implemented error of D3Q   Min Hong
• [Pw_forum] US not implemented error of D3Q   Lorenzo Paulatto
• [Pw_forum] vc-relax optimization of the atomic structure   ali mehdizadeh
• [Pw_forum] vdW   Alexandra Davila
• [Pw_forum] vdW   Paolo Giannozzi
• [Pw_forum] vdW correction : unexpected Binding energy   Amita Sihag
• [Pw_forum] wrong pdos with pbesol   Максим Арсентьев
• [Pw_forum] wrong pdos with pbesol   Carlo Nervi
• [Pw_forum] wrong pdos with pbesol   Максим Арсентьев
• [Pw_forum] wrong pdos with pbesol   Максим Арсентьев
• [Pw_forum] xanes quadrupole xspectra   Hud Wahab
• [Pw_forum] 答复: How to get band structure with hse correction in pwscf?   LEUNG Clarence
• [Pw_forum] 答复: How to get band structure with hse correction in pwscf?   Giuseppe Mattioli
• [Pw_forum] 答复: 答复: How to get band structure with hse correction in pwscf?   LEUNG Clarence

Last message date: Wed May 31 20:33:46 CEST 2017
Archived on: Wed Feb 28 11:16:23 CET 2018

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