August 2014 Archives by date

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Starting: Fri Aug 1 14:07:02 CEST 2014
Ending: Sun Aug 31 20:57:44 CEST 2014
Messages: 194

• [Pw_forum] (no subject)   tomy tunde
• [Pw_forum] Separation of energy terms in pw output   Christopher Heard
• [Pw_forum] Separation of energy terms in pw output   Paolo Giannozzi
• [Pw_forum] Separation of energy terms in pw output   Pietro Bonfa'
• [Pw_forum] Spin-orbit + electron-phonon?   Ijäs Mari
• [Pw_forum] Spin-orbit + electron-phonon?   Paolo Giannozzi
• [Pw_forum] XSpectra_example   Mansoureh Pashangpour
• [Pw_forum] (no subject)   Beda Singh
• [Pw_forum] question on the naming method of atomic species.   Pang Rui
• [Pw_forum] question on the naming method of atomic species.   Lorenzo Paulatto
• [Pw_forum] Separation of energy terms in pw output (Pietro Bonfa')   Christopher Heard
• [Pw_forum] The corresponding WZ mode of the Phonons frequencies obtained???   BENYAHIA NEZHA
• [Pw_forum] getting polarization due to electric field   Nossa, Javier
• [Pw_forum] getting polarization due to electric field   Paolo Giannozzi
• [Pw_forum] FW: The corresponding WZ mode of the Phonons frequencies obtained???   BENYAHIA NEZHA
• [Pw_forum] Charge density Grid   Kayahan Saritas
• [Pw_forum] error in optic properties   fataneh bostan afroz
• [Pw_forum] Charge density Grid   Paolo Giannozzi
• [Pw_forum] Large attachments   Paolo Giannozzi
• [Pw_forum] HELP NEEDED REGARDING ADDITION OF HYDROGEN TO SI3N4-BETA   siddheshwar chopra
• [Pw_forum] Xcrysden 3D-charge plot for missing atoms-Reg   Tone Kokalj
• [Pw_forum] Charge density Grid   Kayahan Saritas
• [Pw_forum] espresso installation problem   Ajanta Maity
• [Pw_forum] Charge density Grid   Paolo Giannozzi
• [Pw_forum] espresso installation problem   Filippo Spiga
• [Pw_forum] too many iterations   Ravi Kiran
• [Pw_forum] SATA vs SAS   Eduardo Menendez
• [Pw_forum] QHA and gfortran   W2AGZ
• [Pw_forum] files needed to solve the problem   Ajanta Maity
• [Pw_forum] files needed to solve the problem   Paolo Giannozzi
• [Pw_forum] SATA vs SAS   Paolo Giannozzi
• [Pw_forum] SATA vs SAS   Carlo Nervi
• [Pw_forum] SATA vs SAS   siddheshwar chopra
• [Pw_forum] QHA and gfortran   Paolo Giannozzi
• [Pw_forum] SATA vs SAS   Carlo Nervi
• [Pw_forum] SATA vs SAS   siddheshwar chopra
• [Pw_forum] SATA vs SAS   Axel Kohlmeyer
• [Pw_forum] SATA vs SAS   Carlo Nervi
• [Pw_forum] SATA vs SAS   Fabricio Cannini
• [Pw_forum] Surface state of Bi2Se3   Chowdhury, Sugata
• [Pw_forum] error in optic properties   Lorenzo Paulatto
• [Pw_forum] SATA vs SAS   Eduardo Menendez
• [Pw_forum] SATA vs SAS   Axel Kohlmeyer
• [Pw_forum] pseudopotential with a hole in the s state   Mansoureh Pashangpour
• [Pw_forum] response charge not equal to zero in TDDFPT   Varadharajan Srinivasan
• [Pw_forum] 回复： espresso installation problem   Huiqun Zhou
• [Pw_forum] Point Charges for Molecular Dynamics   Kevin Schmidt
• [Pw_forum] Point Charges for Molecular Dynamics   Axel Kohlmeyer
• [Pw_forum] Hyperfine calculations - Extrapolation of spin density   roberta pigliapochi
• [Pw_forum] problems with running Quantum Espresso in parallel   Filippo Spiga
• [Pw_forum] getting polarization due to electric field   Nossa, Javier
• [Pw_forum] Inconsistent q-mesh generated by ph.x and q2r.x   Sokseiha Muy
• [Pw_forum] Quick question about wannier90   xiaochuan Ge
• [Pw_forum] entropy calculation of Mg(OH)2 and Ca(OH)2.   塚本晋也
• [Pw_forum] Point Charges for Molecular Dynamics   Giovanni La Penna
• [Pw_forum] Hubbard forces without Hubbard U   Dmitry Novoselov
• [Pw_forum] GIPAW (svn rev. 394) problems with g-tensor   Jarkko Vähäkangas
• [Pw_forum] GIPAW (svn rev. 394) problems with g-tensor   Jarkko Vähäkangas
• [Pw_forum] Hyperfine calculations - Extrapolation of spin density   Davide Ceresoli
• [Pw_forum] Issue on NEB Calculation   Ajit Kumar Jena
• [Pw_forum] xcrysden failure   Winfred Mulwa
• [Pw_forum] xcrysden failure   Tone Kokalj
• [Pw_forum] Hubbard forces without Hubbard U   Matteo Cococcioni
• [Pw_forum] using of dft   tomy tunde
• [Pw_forum] Biaxial Strain Silicon   Cameron Foss
• [Pw_forum] Biaxial Strain Silicon   Cameron Foss
• [Pw_forum] Biaxial Strian Silicon   Cameron Foss
• [Pw_forum] [EXTERNAL] Biaxial Strian Silicon   Zimmerman, Jonathan A
• [Pw_forum] Issues on NEB Calculation   Ajit Kumar Jena
• [Pw_forum] mismatch the graph of DOS and pdos   banafshe noori
• [Pw_forum] Hubbard forces without Hubbard U   Dmitry Novoselov
• [Pw_forum] Hubbard forces without Hubbard U   Sclauzero Gabriele
• [Pw_forum] GIPAW (svn rev. 394) problems with g-tensor   Jarkko Vähäkangas
• [Pw_forum] question on the naming method of atomic species.   Pang Rui
• [Pw_forum] sumpdos   fateme hooshmand
• [Pw_forum] Electric field Polarization   Nossa, Javier
• [Pw_forum] GIPAW (svn rev. 394) problems with g-tensor   Davide Ceresoli
• [Pw_forum] hexagonal symmetry   José Gadelha da Silva Filho
• [Pw_forum] hexagonal symmetry   Arles V. Gil Rebaza
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Sokseiha Muy
• [Pw_forum] NEB Calculation   Ajit Kumar Jena
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Mohsen Modaresi
• [Pw_forum] C6 unit   Mohamad Moadeli
• [Pw_forum] error in generate kpoint   fataneh bostan afroz
• [Pw_forum] GIPAW (svn rev. 394) problems with g-tensor   Jarkko Vähäkangas
• [Pw_forum] Hubbard forces without Hubbard U   Dmitry Novoselov
• [Pw_forum] molecular dynamics of Nickel   Ravi Kiran
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Sokseiha Muy
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Mohsen Modaresi
• [Pw_forum] C6 unit   Paolo Giannozzi
• [Pw_forum] error in generate kpoint   Paolo Giannozzi
• [Pw_forum] The unit of omega_log   flying_lw at yeah.net
• [Pw_forum] The unit of omega_log   Peram sreenivasa reddy
• [Pw_forum] D_S (l=3) for this symmetry operation is not orthogonal   Thomas Gruber
• [Pw_forum] D_S (l=3) for this symmetry operation is not orthogonal   Thomas Gruber
• [Pw_forum] Band Structure Calculation stops after certain number of computing kpts   Karim Elgammal
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Paolo Giannozzi
• [Pw_forum] D_S (l=3) for this symmetry operation is not orthogonal   Paolo Giannozzi
• [Pw_forum] Band Structure Calculation stops after certain number of computing kpts   Karim Elgammal
• [Pw_forum] magnetic property of Cr:TiO2   Winfred Mulwa
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Vincenzo Verdolino
• [Pw_forum] Band Structure Calculation stops after certain number of computing kpts   Mutlu COLAKOGULLARI
• [Pw_forum] Pw_forum Digest, Vol 85, Issue 18   Thomas Gruber
• [Pw_forum] D_S (l=3) for this symmetry operation is not orthogonal   Thomas Gruber
• [Pw_forum] Band Structure Calculation stops after certain number of computing kpts   Karim Elgammal
• [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change   Sokseiha Muy
• [Pw_forum] Band Structure Calculation stops after certain number of computing kpts   Paolo Giannozzi
• [Pw_forum] [EXTERNAL] Biaxial Strian Silicon   Paolo Giannozzi
• [Pw_forum] ph - computational errors in vicinity of gamma point   Kvasov Alexander
• [Pw_forum] D_S (l=3) for this symmetry operation is not orthogonal   Paolo Giannozzi
• [Pw_forum] the Quantum ESPRESSO prize for quantum mechanical materials modeling   Stefano Baroni
• [Pw_forum] pseudipotential for xspectra calculation   Mansoureh Pashangpour
• [Pw_forum] ph - computational errors in vicinity of gamma point   Gabriele Sclauzero
• [Pw_forum] (no subject)   fataneh bostan afroz
• [Pw_forum] ph - computational errors in vicinity of gamma point   Kvasov Alexander
• [Pw_forum] ph - computational errors in vicinity of gamma point   Paolo Giannozzi
• [Pw_forum] ph - computational errors in vicinity of gamma point   Gabriele Sclauzero
• [Pw_forum] calculation of optic properties   fataneh bostan afroz
• [Pw_forum] Options for constrained optimizations   Zimmerman, Jonathan A
• [Pw_forum] Band calculation gets terminated   Aditya Putatunda
• [Pw_forum] Jobs can't finish with the tag of vdw_corr   廖振成
• [Pw_forum] info Raman spectrum   Tommaso Francese
• [Pw_forum] info Raman spectrum   xirainbow
• [Pw_forum] D3   Tommaso Francese
• [Pw_forum] Bugs found when compiling QE 5.1 on BGP   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] info Raman spectrum   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] QE-GPU   Chukwu Jonathan
• [Pw_forum] C6 unit   Mohamad Moadeli
• [Pw_forum] calculation of optic properties   fataneh bostan afroz
• [Pw_forum] QE-GPU   Mohd Farid Ismail
• [Pw_forum] Phonon calculation   Vincenzo Verdolino
• [Pw_forum] Phonon calculation   Andrea Dal Corso
• [Pw_forum] Phonon calculation   Vincenzo Verdolino
• [Pw_forum] Phonon calculation   jzlhubei at gmail.com
• [Pw_forum] Phonon calculation   Vincenzo Verdolino
• [Pw_forum] Phonon calculation   Xiaolong Zhang
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Phonon calculation   Vincenzo Verdolino
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] Ph.x code help   Ari P Seitsonen
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] Fwd: Band calculation gets terminated   Aditya Putatunda
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Fwd: Band calculation gets terminated   Vincenzo Verdolino
• [Pw_forum] Question about tetra.x in QHA package   Sokseiha Muy
• [Pw_forum] Fwd: Band calculation gets terminated   Vo, Trinh (398C)
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] BOMD simulations   Vincenzo Verdolino
• [Pw_forum] Fwd: Band calculation gets terminated   Aditya Putatunda
• [Pw_forum] Ph.x code help   Samin, Adib J.
• [Pw_forum] Ph.x code help   Vincenzo Verdolino
• [Pw_forum] Issue generating trajectory from CP calculation with cppp.x   James Buchwald
• [Pw_forum] Non-orthogonal modes with dynmat.x at gamma point   Florian Altvater
• [Pw_forum] dielectric constant for a metal oxide   Samin, Adib J.
• [Pw_forum] Non-orthogonal modes with dynmat.x at gamma point   Sridhar Sadasivam
• [Pw_forum] BOMD simulations   Vincenzo Verdolino
• [Pw_forum] Non-orthogonal modes with dynmat.x at gamma point   Florian Altvater
• [Pw_forum] info charge density   Tommaso Francese
• [Pw_forum] pp.x   Masoud Avi
• [Pw_forum] space group bug?   Tommaso Francese
• [Pw_forum] space group bug?   Vincenzo Verdolino
• [Pw_forum] Pw_forum Digest, Vol 85, Issue 22   Chukwu Jonathan
• [Pw_forum] Pw_forum Digest, Vol 85, Issue 22   Axel Kohlmeyer
• [Pw_forum] Fwd: Band calculation gets terminated   Aditya Putatunda
• [Pw_forum] pp.x   Paolo Giannozzi
• [Pw_forum] running PWSCF on IB-based cluster   高星
• [Pw_forum] running PWSCF on IB-based cluster   Paolo Giannozzi
• [Pw_forum] Jobs can't finish with the tag of vdw_corr   Paolo Giannozzi
• [Pw_forum] Bugs found when compiling QE 5.1 on BGP   Paolo Giannozzi
• [Pw_forum] Help with running QE on supercomputer   Cameron Foss
• [Pw_forum] Help with running QE on supercomputer   Axel Kohlmeyer
• [Pw_forum] pw2wannier USPP + spin orbit project status   Samuel Huberman
• [Pw_forum] from: wilsun7 at gmail.com   wilsun7 at gmail.com
• [Pw_forum] Crystal Structures in QE   Cameron Foss
• [Pw_forum] running PWSCF on IB-based cluster   高星
• [Pw_forum] Fermi level shift   Mohamad Moadeli
• [Pw_forum] Crystal Structures in QE   Paolo Giannozzi
• [Pw_forum] running PWSCF on IB-based cluster   Axel Kohlmeyer
• [Pw_forum] Fermi level shift   Mohamad Moadeli
• [Pw_forum] Pw_forum Digest, Vol 85, Issue 27   Chukwu Jonathan
• [Pw_forum] How to show more digits in the results?   Haibei Huang
• [Pw_forum] How to show more digits in the results?   Axel Kohlmeyer
• [Pw_forum] A question of projwfc.x   Pang Rui
• [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   ankit jain
• [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   Vincenzo Verdolino
• [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   ankit jain
• [Pw_forum] Fwd: Phonon dispersion from using matdyn.x   Vincenzo Verdolino

Last message date: Sun Aug 31 20:57:44 CEST 2014
Archived on: Wed Feb 28 11:13:01 CET 2018

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