April 2017 Archives by author

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Starting: Sat Apr 1 02:31:23 CEST 2017
Ending: Sun Apr 30 17:17:16 CEST 2017
Messages: 230

• [Pw_forum] cholesky problem on band structure calculation with HSE06   "이윤재"
• [Pw_forum] An error while using plotband.x   Omamuyovwi Akemu
• [Pw_forum] semiempirical dispersion correction   Martin Andersson
• [Pw_forum] Plot the dielectric function and polarization charge under solvent model   Oliviero Andreussi
• [Pw_forum] Symmetry adapted Wannier Functions (problems with pw2wannier90)   Oier Arcelus
• [Pw_forum] Spin-orbit matrix elements   Oier Arcelus
• [Pw_forum] Raman intensity and problem in example 15 in the phonon examples   Uri Argaman
• [Pw_forum] Cholesky error in higher number of bands   Sitangshu Bhattacharya
• [Pw_forum] Cholesky error in higher number of bands   Sitangshu Bhattacharya
• [Pw_forum] Cholesky error in higher number of bands   Sitangshu Bhattacharya
• [Pw_forum] Fwd: PhD opportunities at SIMaP, Grenoble   Cristian Degli Esposti Boschi
• [Pw_forum] Quantum Espresso related Query   Anindya Bose
• [Pw_forum] small compilation issues in thermo_pw   Giovanni Cantele
• [Pw_forum] eps calculation error   Giovanni Cantele
• [Pw_forum] eps calculation error   Giovanni Cantele
• [Pw_forum] TiO2 001 Slab Convergence   Jia Chen
• [Pw_forum] How to convert Rydberg unit in C/m^2   Andrey Chibisov
• [Pw_forum] Polarization of (101) SiO2 slab   Andrey Chibisov
• [Pw_forum] band structure calculation with HSE hybrid functional   LEUNG Clarence
• [Pw_forum] Gibbs Free energy   LEUNG Clarence
• [Pw_forum] Ph.x cannot convergence in 100 step   LEUNG Clarence
• [Pw_forum] Nscf with large number of bands for GW   Thierry Clette
• [Pw_forum] small compilation issues in thermo_pw   Andrea Dal Corso
• [Pw_forum] How to install QE on mac   PRATIK DAS
• [Pw_forum] problems computing cholesky   Kanak Datta
• [Pw_forum] problems computing cholesky   Kanak Datta
• [Pw_forum] Nscf with large number of bands for GW   Kanak Datta
• [Pw_forum] Cholesky error in higher number of bands   Kanak Datta
• [Pw_forum] Cholesky error in higher number of bands   Kanak Datta
• [Pw_forum] semiempirical dispersion correction   Alexandra Davila
• [Pw_forum] london_c6   Alexandra Davila
• [Pw_forum] TiO2 001 Slab Convergence   William Joseph Ivan DeBenedetti
• [Pw_forum] Omit Atoms from Vibrational Energy Calculation   William Joseph Ivan DeBenedetti
• [Pw_forum] silver graphene interface   Karim Elgammal
• [Pw_forum] Bug in QE 6.1 find_mode_sym   Mark Filipiak
• [Pw_forum] QE 6.1 maintenance branch?   Mark Filipiak
• [Pw_forum] QE 6.1 maintenance branch?   Mark Filipiak
• [Pw_forum] Bug in QE 6.1 find_mode_sym   Mark Filipiak
• [Pw_forum] Graphene doped relaxation   David Foster
• [Pw_forum] Installing Quantum ESPRESSO on Windows   Wilbert James Futalan
• [Pw_forum] Running Spin-Polarized Calculations from Non Spin-polarized Calculations   Wilbert James Futalan
• [Pw_forum] cell_factor ignored in vc-relax   Marco Di Gennaro
• [Pw_forum] Convergence problem with Pb180Se180 Cluster optimization   Narendranath Ghosh
• [Pw_forum] Convergence problem with Pb180Se180 Cluster optimization   Narendranath Ghosh
• [Pw_forum] bug found in pwi2xsf.f90   Paolo Giannozzi
• [Pw_forum] How to convert Rydberg unit in C/m^2   Paolo Giannozzi
• [Pw_forum] QE version for windows   Paolo Giannozzi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Paolo Giannozzi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Paolo Giannozzi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Paolo Giannozzi
• [Pw_forum] cell_factor ignored in vc-relax   Paolo Giannozzi
• [Pw_forum] cell_factor ignored in vc-relax   Paolo Giannozzi
• [Pw_forum] Nscf with large number of bands for GW   Paolo Giannozzi
• [Pw_forum] How to correctly use Wyckoff potition and crystal_sg   Paolo Giannozzi
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos is OK?   Paolo Giannozzi
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos   Paolo Giannozzi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Paolo Giannozzi
• [Pw_forum] small compilation issues in thermo_pw   Paolo Giannozzi
• [Pw_forum] QE 6.1 maintenance branch?   Paolo Giannozzi
• [Pw_forum] Absolute energy dependent on ATOMIC_POSITION specification   Paolo Giannozzi
• [Pw_forum] high-symmetry point is wrong in the output of bands.x   Paolo Giannozzi
• [Pw_forum] Polarization of (101) SiO2 slab   Paolo Giannozzi
• [Pw_forum] from phq_readin : error # 19   Paolo Giannozzi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Paolo Giannozzi
• [Pw_forum] Convergence problem with Pb180Se180 Cluster optimization   Paolo Giannozzi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Paolo Giannozzi
• [Pw_forum] silver graphene interface   Paolo Giannozzi
• [Pw_forum] from phq_readin : error # 19   Paolo Giannozzi
• [Pw_forum] from phq_readin : error # 19   Paolo Giannozzi
• [Pw_forum] a question about BORN Effective charges   Paolo Giannozzi
• [Pw_forum] TiO2 001 Slab Convergence   Paolo Giannozzi
• [Pw_forum] a question about BORN Effective charges   Paolo Giannozzi
• [Pw_forum] relax vs multiple SCF calculations inconsistency   Stefano de Gironcoli
• [Pw_forum] Phonon with orbital character   Wen Fong Goh
• [Pw_forum] Complete path of q-points   Naseem Hassan
• [Pw_forum] How to check GWW convergence   Manoar Hossain
• [Pw_forum] Plot the dielectric function and polarization charge under solvent model   Huang, Xu
• [Pw_forum] eps calculation error   Pinank Jariwala
• [Pw_forum] eps calculation error   Pinank Jariwala
• [Pw_forum] enquiry on computing chiroptical properties of periodic systems   Manuel Pérez Jigato
• [Pw_forum] How simulate atoms of same element with different oxidation number in compounds?   Ary Junior
• [Pw_forum] band-structure calculations in slab-vacuum geometry: how to find the "surface k-path"?   Ary Junior
• [Pw_forum] convergence issue in vc-relax: final scf step   Mohammadreza Karamad
• [Pw_forum] Printing Charge Density, Potential and G vectors in Reciprocal Space   Amandeep Kaur
• [Pw_forum] calculating frequencies in Co3O4 causing a segmentation fault   Mitsuaki Kawamura
• [Pw_forum] calculating frequencies in Co3O4 causing a segmentation fault   Mitsuaki Kawamura
• [Pw_forum] calculating frequencies in Co3O4 causing a segmentation fault   Mitsuaki Kawamura
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos   Mitsuaki Kawamura
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos   Mitsuaki Kawamura
• [Pw_forum] Reg: plotting of electron phonon coupling constant like phonon dispersion plot   Mitsuaki Kawamura
• [Pw_forum] Reg: error while running tetra_example in PHonon examples in 6.1 version   Mitsuaki Kawamura
• [Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version   Mitsuaki Kawamura
• [Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version   Mitsuaki Kawamura
• [Pw_forum] QE version for windows   Axel Kohlmeyer
• [Pw_forum] Installing Quantum ESPRESSO on Windows   Axel Kohlmeyer
• [Pw_forum] Xcrysden and crystal_sg ATOMIC_POSITION   Tone Kokalj
• [Pw_forum] atomic position with crystal_sg   Tone Kokalj
• [Pw_forum] semiempirical dispersion correction   Tone Kokalj
• [Pw_forum] london_c6   Tone Kokalj
• [Pw_forum] questions about the electron-phonon coupling coefficients g   Xiaoyu Liu
• [Pw_forum] input file for ELF calculation   Rita Maji
• [Pw_forum] semiempirical dispersion correction   Layla Martin-Samos
• [Pw_forum] intrinsic dipole of (large, anisotropic) molecule   Marton
• [Pw_forum] Negative phonon frequencies at gamma point   Marton
• [Pw_forum] relax vs multiple SCF calculations inconsistency   Marton
• [Pw_forum] How simulate atoms of same element with different oxidation number in compounds?   Marton
• [Pw_forum] How simulate atoms of same element with different oxidation number in compounds?   Nicola Marzari
• [Pw_forum] one Question   Giuseppe Mattioli
• [Pw_forum] Convergence problem with Pb180Se180 Cluster optimization   Giuseppe Mattioli
• [Pw_forum] Convergence problem with Pb180Se180 Cluster optimization   Giuseppe Mattioli
• [Pw_forum] Omit Atoms from Vibrational Energy Calculation   Giuseppe Mattioli
• [Pw_forum] semiempirical dispersion correction   Giuseppe Mattioli
• [Pw_forum] semiempirical dispersion correction   Giuseppe Mattioli
• [Pw_forum] relaxation not converging   Himani Mishra
• [Pw_forum] relaxation not converging   Himani Mishra
• [Pw_forum] silver graphene interface   Ubaid Mohd
• [Pw_forum] norm-conserving PAW PPs   Ryky Nelson
• [Pw_forum] norm-conserving PAW PPs   Ryky Nelson
• [Pw_forum] norm-conserving PAW PPs   Ryky Nelson
• [Pw_forum] bug found in pwi2xsf.f90   Huu Chuong Nguyën
• [Pw_forum] calculating frequencies in Co3O4 causing a segmentation fault   Huu Chuong Nguyën
• [Pw_forum] VCA for positional disorder   Novendra Novendra
• [Pw_forum] VCA for positional disorder   Novendra Novendra
• [Pw_forum] TiO2 001 Slab Convergence   Aleksandra Oranskaia
• [Pw_forum] Problem with PWgui-6.0   Uttam Paliwal
• [Pw_forum] Problem with PWgui-6.0   Uttam Paliwal
• [Pw_forum] atomic position with crystal_sg   Uttam Paliwal
• [Pw_forum] relaxation not converging   Bramha Pandey
• [Pw_forum] relaxation not converging   Bramha Pandey
• [Pw_forum] (no subject)   VineetKumar Pandey
• [Pw_forum] (no subject)   VineetKumar Pandey
• [Pw_forum] different born effective charges   VineetKumar Pandey
• [Pw_forum] different born effective charges   VineetKumar Pandey
• [Pw_forum] different born effective charges   VineetKumar Pandey
• [Pw_forum] a question about BORN Effective charges   VineetKumar Pandey
• [Pw_forum] a question about BORN Effective charges   VineetKumar Pandey
• [Pw_forum] a question about BORN Effective charges   VineetKumar Pandey
• [Pw_forum] QE-GUI   Ramesh Paudel
• [Pw_forum] Raman intensity and problem in example 15 in the phonon examples   Lorenzo Paulatto
• [Pw_forum] problems computing cholesky   Lorenzo Paulatto
• [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] problems computing cholesky   Lorenzo Paulatto
• [Pw_forum] cell_factor ignored in vc-relax   Lorenzo Paulatto
• [Pw_forum] different born effective charges   Lorenzo Paulatto
• [Pw_forum] Equivalent q-points   Lorenzo Paulatto
• [Pw_forum] Bug in QE 6.1 find_mode_sym   Lorenzo Paulatto
• [Pw_forum] norm-conserving PAW PPs   Lorenzo Paulatto
• [Pw_forum] WARNING! very low DOS at Fermi energy @ d3q code   Lorenzo Paulatto
• [Pw_forum] norm-conserving PAW PPs   Lorenzo Paulatto
• [Pw_forum] relax vs multiple SCF calculations inconsistency   Lorenzo Paulatto
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   Lorenzo Paulatto
• [Pw_forum] About graphene nanoribbon input.   Lorenzo Paulatto
• [Pw_forum] About graphene nanoribbon input.   Lorenzo Paulatto
• [Pw_forum] Total forces not converging: relax calculation   Josue Itsman Clavijo Penagos
• [Pw_forum] high-symmetry point is wrong in the output of bands.x   Giovanni Pizzi
• [Pw_forum] Open position for a software engineer/web developer - MARVEL, EPFL, Switzerland   Giovanni Pizzi
• [Pw_forum] Problem with PWgui-6.0   Matic Poberznik
• [Pw_forum] Problem with PWgui-6.0   Matic Poberznik
• [Pw_forum] Fwd: Help   Matic Poberznik
• [Pw_forum] one Question   Altaf Ur Rahman
• [Pw_forum] one Question   Altaf Ur Rahman
• [Pw_forum] one Question   Altaf Ur Rahman
• [Pw_forum] Lost in Adiabaticity by using cp.x   Sergio Castaneda Ramirez
• [Pw_forum] How simulate atoms of same element with different oxidation number in compounds?   Máximo Ramírez
• [Pw_forum] calculating frequencies in Co3O4 causing a segmentation fault   Md. Masud Rana
• [Pw_forum] Xcrysden and crystal_sg ATOMIC_POSITION   Daniel Reta
• [Pw_forum] Xcrysden and crystal_sg ATOMIC_POSITION   Daniel Reta
• [Pw_forum] Absolute energy dependent on ATOMIC_POSITION specification   Daniel Reta
• [Pw_forum] Absolute energy dependent on ATOMIC_POSITION specification   Daniel Reta
• [Pw_forum] from phq_readin : error # 19   Daniel Reta
• [Pw_forum] from phq_readin : error # 19   Daniel Reta
• [Pw_forum] from phq_readin : error # 19   Daniel Reta
• [Pw_forum] Total forces not converging: relax calculation   Daniel Reta
• [Pw_forum] Total forces not converging: relax calculation   Daniel Reta
• [Pw_forum] Equivalent q-points   Pablo García Risueño
• [Pw_forum] Negative phonon frequencies at gamma point   Pablo García Risueño
• [Pw_forum] post-position ALCF - HPC position in computational material science   Nichols A. Romero
• [Pw_forum] VCA for positional disorder   German Samolyuk
• [Pw_forum] VCA for positional disorder   German Samolyuk
• [Pw_forum] Lost in Adiabaticity by using cp.x   Biswajit Santra
• [Pw_forum] Polarization along face or body diagonal   Deepashri Saraf
• [Pw_forum] Fwd: Help   Pradip Shelke
• [Pw_forum] Fwd: Help   Pradip Shelke
• [Pw_forum] How to download a QE snapshot from SVN repository   Nam Tran
• [Pw_forum] intrinsic dipole of (large, anisotropic) molecule   Christoph Wolf(신소재공학과)
• [Pw_forum] how to study adsorption geometry vs. energy? NEB?   Christoph Wolf(신소재공학과)
• [Pw_forum] intrinsic dipole of (large, anisotropic) molecule   Christoph Wolf(신소재공학과)
• [Pw_forum] band-structure calculations in slab-vacuum geometry: how to find the "surface k-path"?   Christoph Wolf(신소재공학과)
• [Pw_forum] About graphene nanoribbon input.   Pablo Álvarez Zapatero
• [Pw_forum] About graphene nanoribbon input.   Pablo Álvarez Zapatero
• [Pw_forum] About graphene nanoribbon input.   Pablo Álvarez Zapatero
• [Pw_forum] WARNING! very low DOS at Fermi energy @ d3q code   Yusuf Zuntu
• [Pw_forum] Regarding vc-relax calculations   mohaddeseh abbasnejad
• [Pw_forum] Regarding vc-relax calculations   mohaddeseh abbasnejad
• [Pw_forum] How to correctly use Wyckoff potition and crystal_sg   balabi
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos is OK?   balabi
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos   balabi
• [Pw_forum] Why projwfc.x gives all zero pdos result while kpdos   balabi
• [Pw_forum] high-symmetry point is wrong in the output of bands.x   balabi
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   stefano de gironcoli
• [Pw_forum] relax vs multiple SCF calculations inconsistency   stefano de gironcoli
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] Conserving the same Wyckoff multiplicity in the input and in the output   hqtst42
• [Pw_forum] How simulate atoms of same element with different oxidation number in compounds?   max
• [Pw_forum] silver graphene interface   onlymubaid
• [Pw_forum] Reg: plotting of electron phonon coupling constant like phonon dispersion plot   Peram sreenivasa reddy
• [Pw_forum] Reg: plotting of electron phonon coupling constant like phonon dispersion plot   Peram sreenivasa reddy
• [Pw_forum] Reg: error while running tetra_example in PHonon examples in 6.1 version   Peram sreenivasa reddy
• [Pw_forum] Reg: error while running tetra_example in PHonon examples in 6.1 version   Peram sreenivasa reddy
• [Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version   Peram sreenivasa reddy
• [Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version   Peram sreenivasa reddy
• [Pw_forum] Regarding vc-relax calculations   dario rocca
• [Pw_forum] Postdoc in Bremen/Nancy   dario rocca
• [Pw_forum] Single molecule relaxation vs changing the angle and performing SCF   sarashs
• [Pw_forum] relax vs multiple SCF calculations inconsistency   sarashs
• [Pw_forum] relax vs multiple SCF calculations inconsistency   sarashs
• [Pw_forum] relax vs multiple SCF calculations inconsistency   sarashs
• [Pw_forum] relax vs multiple SCF calculations inconsistency   sarashs
• [Pw_forum] relax vs multiple SCF calculations inconsistency   sarashs
• [Pw_forum] Convergence problem with Pb180Se180 Cluster optimization   ashkan shekaari
• [Pw_forum] Figure of merit   ade wale
• [Pw_forum] RAM specification problem   project way
• [Pw_forum] atom positions of bulk zno   project way
• [Pw_forum] Th fully relativistic pseudo   eugenia wetrowa
• [Pw_forum] How to keep the magnetic moment   毛飞

Last message date: Sun Apr 30 17:17:16 CEST 2017
Archived on: Wed Feb 28 11:16:22 CET 2018

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