August 2006 Archives by author

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Starting: Tue Aug 1 10:25:17 CEST 2006
Ending: Thu Aug 31 23:54:06 CEST 2006
Messages: 248

• [Pw_forum] phonon eigenvectors   Eric Abel
• [Pw_forum] phonon eigenvectors   Eric Abel
• [Pw_forum] Answers and Questions   Eric Abel
• [Pw_forum] Band Strcture calculation with PW   Claudio Attaccalite
• [Pw_forum] the unit of Dielectric Tensor in .dynG output file   Stefano Baroni
• [Pw_forum] error during compilatio   Stefano Baroni
• [Pw_forum] phonons   Stefano Baroni
• [Pw_forum] help me: how to calculate free energy   Stefano Baroni
• [Pw_forum] help me: how to calculate free energy   Stefano Baroni
• [Pw_forum] heat of formation for Mg3N2   Stefano Baroni
• [Pw_forum] help: free energy   Stefano Baroni
• [Pw_forum] heat of formation for Mg3N2   Stefano Baroni
• [Pw_forum] heat of formation for Mg3N2   Stefano Baroni
• [Pw_forum] help: free energy   Stefano Baroni
• [Pw_forum] phonon at Gamma point   Stefano Baroni
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   Stefano Baroni
• [Pw_forum] PWSCF Netiquette: Please use some form of name / affiliation   Stefano Baroni
• [Pw_forum] phonon at Gamma point   Stefano Baroni
• [Pw_forum] help: the phonon calculation   Stefano Baroni
• [Pw_forum] PWscf can not find out symmetry operations!!!   Stefano Baroni
• [Pw_forum] lambda convergence   Stefano Baroni
• [Pw_forum] PWscf can not find out symmetry operations!!!   Stefano Baroni
• [Pw_forum] phonon eigenvectors   Stefano Baroni
• [Pw_forum] PWscf can not find out symmetry operations!!!   Stefano Baroni
• [Pw_forum] phonon eigenvectors   Stefano Baroni
• [Pw_forum] magnetic anisotropy energy (MAE)   Cyrille Barreteau
• [Pw_forum] Permanent Research Fellow position   Cyrille Barreteau
• [Pw_forum] (no subject)   Roberta CUOZZO
• [Pw_forum] example25 and LDA+U forces   Kevin Chan
• [Pw_forum] phonon, gk_sort error   Kevin Chan
• [Pw_forum] error during compilatio   Matteo Cococcioni
• [Pw_forum] error during compilatio   Matteo Cococcioni
• [Pw_forum] Problems running pwcond.x : error "problems with the linear system"   Andrea Dal Corso
• [Pw_forum] What to do when NEB calculation is difficult to converge?   Xunlei Ding
• [Pw_forum] What to do when NEB calculation is difficult to converge?   Xunlei Ding
• [Pw_forum] What to do when NEB calculation is difficult to converge?   Xunlei Ding
• [Pw_forum] whether PWSCF can calculte the transport spectral function   Steven Dixon
• [Pw_forum] Re: whether PWSCF can calculte the transport spectral   Steven Dixon
• [Pw_forum] heat of formation for Mg3N2   Xiangmei Duan
• [Pw_forum] heat of formation for Mg3N2   Xiangmei Duan
• [Pw_forum] heat of formation for Mg3N2   Xiangmei Duan
• [Pw_forum] BFGS convergence   PRASENJIT GHOSH
• [Pw_forum] BFGS convergence   PRASENJIT GHOSH
• [Pw_forum] BFGS convergence   PRASENJIT GHOSH
• [Pw_forum] NEB calcualtion - Problem   PRASENJIT GHOSH
• [Pw_forum] phonon dispersion calculations   Paolo Giannozzi
• [Pw_forum] Electric field potential in pp.x version 3.1   Paolo Giannozzi
• [Pw_forum] how to get Interatomic force constants   Paolo Giannozzi
• [Pw_forum] Warning messages   Paolo Giannozzi
• [Pw_forum] the unit of Dielectric Tensor in .dynG output file   Paolo Giannozzi
• [Pw_forum] a question about phonon dos   Paolo Giannozzi
• [Pw_forum] Re:Re: Waring message   Paolo Giannozzi
• [Pw_forum] insufficient virtual memory! What to do?   Paolo Giannozzi
• [Pw_forum] phonon at Gamma point   Paolo Giannozzi
• [Pw_forum] doing QHA calculations   Paolo Giannozzi
• [Pw_forum] Code starting trouble on the PC Cluster   Paolo Giannozzi
• [Pw_forum] about e1,e2 and e3   Paolo Giannozzi
• [Pw_forum] help me: how to calculate free energy   Paolo Giannozzi
• [Pw_forum] phonon, gk_sort error   Paolo Giannozzi
• [Pw_forum] serial algorithm in parallel phonon calculation   Paolo Giannozzi
• [Pw_forum] pw.x not able to specity initial ion velocities   Paolo Giannozzi
• [Pw_forum] segmentation fault   Paolo Giannozzi
• [Pw_forum] electron-phonon coupling at a certain k point   Paolo Giannozzi
• [Pw_forum] Using bands.x to extra band structure info   Paolo Giannozzi
• [Pw_forum] ld1.x normalization and overlap integrals   Paolo Giannozzi
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   Paolo Giannozzi
• [Pw_forum] phonon, gk_sort error   Paolo Giannozzi
• [Pw_forum] Problem with q2r.x   Paolo Giannozzi
• [Pw_forum] how to saturate dangling bonds in surface   Paolo Giannozzi
• [Pw_forum] BFGS convergence   Paolo Giannozzi
• [Pw_forum] Units in plots   Paolo Giannozzi
• [Pw_forum] help: the phonon calculation   Paolo Giannozzi
• [Pw_forum] superposition   Paolo Giannozzi
• [Pw_forum] PseudoPotential for Ce?   Nguyen Ngoc Ha
• [Pw_forum] Code starting trouble on the PC Cluster   Shujun Hu
• [Pw_forum] Code starting trouble on the PC Cluster   Shujun Hu
• [Pw_forum] Warning messages   Eyvaz Isaev
• [Pw_forum] a question about phonon dos   Eyvaz Isaev
• [Pw_forum] ������� �� PWscf   Eyvaz Isaev
• [Pw_forum] higher cutoff, lower symmetry?   Eyvaz Isaev
• [Pw_forum] higher cutoff, lower symmetry?   Eyvaz Isaev
• [Pw_forum] phonon dispersion calculations   Eyvaz Isaev
• [Pw_forum] How to compile the cpvib.x vdw.x?   Eyvaz Isaev
• [Pw_forum] doing QHA calculations   Eyvaz Isaev
• [Pw_forum] Q.Espresso-3.1.1: Error in compilation   Eyvaz Isaev
• [Pw_forum] insufficient virtual memory! What to do?   Eyvaz Isaev
• [Pw_forum] phonon at Gamma point   Eyvaz Isaev
• [Pw_forum] phonon at Gamma point   Eyvaz Isaev
• [Pw_forum] charge is wrong   Eyvaz Isaev
• [Pw_forum] charge is wrong   Eyvaz Isaev
• [Pw_forum] doing QHA calculations (contd)   Eyvaz Isaev
• [Pw_forum] doing QHA calculations (contd)   Eyvaz Isaev
• [Pw_forum] phonon at Gamma point   Eyvaz Isaev
• [Pw_forum] charge is wrong   Eyvaz Isaev
• [Pw_forum] doing QHA calculations   Eyvaz Isaev
• [Pw_forum] help me: how to calculate free energy   Eyvaz Isaev
• [Pw_forum] help: free energy   Eyvaz Isaev
• [Pw_forum] phonon at Gamma point   Eyvaz Isaev
• [Pw_forum] regarding energies obtained on running fqha.x   Eyvaz Isaev
• [Pw_forum] Nickel surface calculations   Ameya Joshi
• [Pw_forum] phonon dispersion calculations   Tuhina Kelkar
• [Pw_forum] doing QHA calculations   Tuhina Kelkar
• [Pw_forum] doing QHA calculations (contd)   Tuhina Kelkar
• [Pw_forum] doing QHA calculations (contd)   Tuhina Kelkar
• [Pw_forum] regarding energies obtained on running fqha.x   Tuhina Kelkar
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Axel Kohlmeyer
• [Pw_forum] phonon dispersion calculations   Axel Kohlmeyer
• [Pw_forum] psik^2 is possible Aritz   Axel Kohlmeyer
• [Pw_forum] Doubt regarding the bandstructure calculations for nanowires   Axel Kohlmeyer
• [Pw_forum] compling quantum espresso   Axel Kohlmeyer
• [Pw_forum] error during compilatio   Axel Kohlmeyer
• [Pw_forum] segmentation fault   Axel Kohlmeyer
• [Pw_forum] Complitation error   Axel Kohlmeyer
• [Pw_forum] charge is wrong   Axel Kohlmeyer
• [Pw_forum] charge is wrong   Axel Kohlmeyer
• [Pw_forum] restart cp on Blue Gene   Axel Kohlmeyer
• [Pw_forum] Code starting trouble on the PC Cluster   Axel Kohlmeyer
• [Pw_forum] Nickel surface calculations   Axel Kohlmeyer
• [Pw_forum] pw.x not able to specity initial ion velocities   Axel Kohlmeyer
• [Pw_forum] PWSCF Netiquette: Please use some form of name / affiliation   Axel Kohlmeyer
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   Axel Kohlmeyer
• [Pw_forum] Answers and Questions   Axel Kohlmeyer
• [Pw_forum] Answers and Questions   Axel Kohlmeyer
• [Pw_forum] What to do when NEB calculation is difficult to converge?   Tone Kokalj
• [Pw_forum] why the phonon eigendisplacement are so much different?   Yi Kong
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Konstantin Kudin
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Konstantin Kudin
• [Pw_forum] pw.x not able to specity initial ion velocities   Konstantin Kudin
• [Pw_forum] pw.x not able to specity initial ion velocities   Konstantin Kudin
• [Pw_forum] PWSCF Netiquette: Please use some form of name / affiliation   Konstantin Kudin
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   Konstantin Kudin
• [Pw_forum] Re: Publications resulting from PWscf/Quantum Espresso   Konstantin Kudin
• [Pw_forum] plotting psi2   Aritz Leonardo Liceranzu
• [Pw_forum] plotting psi2   Aritz Leonardo Liceranzu
• [Pw_forum] psik^2 is possible Aritz   Aritz Leonardo Liceranzu
• [Pw_forum] about e1,e2 and e3   Aritz Leonardo Liceranzu
• [Pw_forum] Warning messages   Donghee Lim
• [Pw_forum] Re:Re: Waring message   Donghee Lim
• [Pw_forum] Negative or zero norm error   Donghee Lim
• [Pw_forum] phonons   Nicola Marzari
• [Pw_forum] pw.x not able to specity initial ion velocities   Nicola Marzari
• [Pw_forum] About WanT calculation for large system   Nicola Marzari
• [Pw_forum] PWSCF Netiquette: Please use some form of name / affiliation   Nicola Marzari
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   Nicola Marzari
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   Nicola Marzari
• [Pw_forum] PWscf can not find out symmetry operations!!!   Yingli Niu
• [Pw_forum] PWscf can not find out symmetry operations!!!   Yingli Niu
• [Pw_forum] PWscf can not find out symmetry operations!!!   Yingli Niu
• [Pw_forum] Re: doing QHA calculations (contd)   Eduardo Ariel Menendez P
• [Pw_forum] help me: how to calculate free energy   Eduardo Ariel Menendez P
• [Pw_forum] Re: phonon, gk_sort error   Eduardo Ariel Menendez P
• [Pw_forum] serial algorithm in parallel phonon calculation   Eduardo Ariel Menendez P
• [Pw_forum] ld1.x normalization and overlap integrals   Eduardo Ariel Menendez P
• [Pw_forum] how was generated Pt.pz-nd-rrkjus.UPF   Eduardo Ariel Menendez P
• [Pw_forum] how to saturate dangling bonds in surface   Eduardo Ariel Menendez P
• [Pw_forum] superposition   Eduardo Ariel Menendez P
• [Pw_forum] segmentation fault   Vivek Ranjan
• [Pw_forum] postdoc in electronic structure   Fernando A Reboredo
• [Pw_forum] Answers and Questions   Fernando A Reboredo
• [Pw_forum] Answers and Questions   Fernando A Reboredo
• [Pw_forum] Error while running metadynamics.   K.Hari Krishna Reddy
• [Pw_forum] Units in plots   Detlef Schmicker
• [Pw_forum] Units in plots   Detlef Schmicker
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Alexander Shaposhnikov
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Alexander Shaposhnikov
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Alexander Shaposhnikov
• [Pw_forum] Re: dynmat.x error 1   Philip Shemella
• [Pw_forum] phonon at Gamma point   Ezad Shojaee
• [Pw_forum] compling quantum espresso   Krishnan Sridevi
• [Pw_forum] NEB calcualtion - Problem   Krishnan Sridevi
• [Pw_forum] Q.Espresso-3.1.1: Error in compilation   Meena Talati
• [Pw_forum] pw.x not able to specity initial ion velocities   Tim Teatro
• [Pw_forum] response   Tiju Thomas
• [Pw_forum] psik^2 is possible Aritz   Tiju Thomas
• [Pw_forum] dynmat.x error 1   Tiju Thomas
• [Pw_forum] electron-phonon coupling at a certain k point   Tiju Thomas
• [Pw_forum] phonon at Gamma point   Luke Thulin
• [Pw_forum] Re: AlAs in field   Paolo Umari
• [Pw_forum] About WanT calculation for large system   Janiet Wen
• [Pw_forum] whether PWSCF can calculte the transport spectral function   Malgorzata Wierzbowska
• [Pw_forum] Re: whether PWSCF can calculte the transport spectral   Malgorzata Wierzbowska
• [Pw_forum] how to saturate dangling bonds in surface   Malgorzata Wierzbowska
• [Pw_forum] a question about phonon dos   Peter Winey
• [Pw_forum] a question about phonon dos   Peter Winey
• [Pw_forum] charge is wrong   Zheng Xiaohong
• [Pw_forum] phonon at Gamma point   Yansun Yao
• [Pw_forum] Crash when running pw.x for relaxing a structure   Huiqun Zhou
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• [Pw_forum] Re: Re: Re: Woodcrest vs Opteron performance in pwscf calc. (Huiqun Zhou)   Huiqun Zhou
• [Pw_forum] Re: Re: Re: Woodcrest vs Opteron performance in pwscf calc. (Huiqun Zhou)   Huiqun Zhou
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• Fw: [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   Huiqun Zhou
• [Pw_forum] restart cp on Blue Gene   Silviu Zilberman
• [Pw_forum] Using bands.x to extra band structure info   stewart at cnf.cornell.edu
• [Pw_forum] Publications resulting from PWscf/Quantum Espresso   stewart at cnf.cornell.edu
• [Pw_forum] Re: Publications resulting from PWscf/Quantum Espresso   stewart at cnf.cornell.edu
• [Pw_forum] Problems running pwcond.x : error "problems with the linear system"   stewart at cnf.cornell.edu
• [Pw_forum] Fermi Energy and DOS   degironc
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   cazzato at democritos.it
• [Pw_forum] Re: Woodcrest vs Opteron performance in pwscf calc.   cazzato at democritos.it
• [Pw_forum] how to saturate dangling bonds in surface   stefano fabris
• [Pw_forum] How to compile the cpvib.x vdw.x?   gnuplot
• [Pw_forum] higher cutoff, lower symmetry?   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonons   lan haiping
• [Pw_forum] phonons   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] phonon at Gamma point   lan haiping
• [Pw_forum] CRASH of ph.x calculation in example06   lan haiping
• [Pw_forum] Re: CRASH of ph.x calculation in example06   lan haiping
• [Pw_forum] help: the phonon calculation   lan haiping
• [Pw_forum] whether PWSCF can calculte the transport spectral function   lan haiping
• [Pw_forum] magnetic anisotropy energy (MAE)   akara at ksu.edu
• [Pw_forum] magnetic anisotropy energy (MAE)   akara at ksu.edu
• [Pw_forum] Re: Re: Re: Woodcrest vs Opteron performance in pwscf calc. (Huiqun Zhou)   cesards at msi.umn.edu
• [Pw_forum] Re: Negative or zero norm error   mnunez at ncsu.edu
• [Pw_forum] Complitation error   xzheng2 at ncsu.edu
• [Pw_forum] insufficient virtual memory! What to do?   xzheng2 at ncsu.edu
• [Pw_forum] charge is wrong   xzheng2 at ncsu.edu
• [Pw_forum] the unit of Dielectric Tensor in .dynG output file   vu ongphuong
• [Pw_forum] Problem with q2r.x   vu ongphuong
• [Pw_forum] Doubt regarding the bandstructure calculations for nanowires   daya sagar
• [Pw_forum] Error while running metadynamics.   carlo sbraccia
• [Pw_forum] Fermi Energy and DOS   xshen
• [Pw_forum] Fermi Energy and DOS (problem solved)   xshen
• [Pw_forum] help me: how to calculate free energy   hailin yu
• [Pw_forum] help me: how to calculate free energy   hailin yu
• [Pw_forum] help me: how to calculate free energy   hailin yu
• [Pw_forum] help: free energy   hailin yu
• [Pw_forum] help: free energy   hailin yu
• [Pw_forum] help: free energy   hailin yu
• [Pw_forum] help: the phonon calculation   hailin yu
• [Pw_forum] superposition of atomic density   sareh zarei
• [Pw_forum] superposition   sareh zarei
• [Pw_forum] PWscf can not find out symmetry operations!!!   Ó¢Àû Å£
• [Pw_forum] About electron-phonon coupling constants calculation!   英利 牛
• [Pw_forum] PWscf can not find out symmetry operations!!!   英利 牛
• [Pw_forum] re： Welcome to the "Pw_forum" mailing list (Digest mode)   郭宝增
• [Pw_forum] lambda convergence   英国 高

Last message date: Thu Aug 31 23:54:06 CEST 2006
Archived on: Wed Feb 28 10:49:57 CET 2018

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