January 2007 Archives by subject
Starting: Tue Jan 2 06:58:23 CET 2007
Ending: Wed Jan 31 22:49:04 CET 2007
Messages: 193
- [Pw_forum] a question about a calculation on a relatively large system
Peter Winey
- [Pw_forum] Re: a question about a calculation on a relatively large system
umari at democritos.it
- [Pw_forum] a question about a calculation on a relatively large system
Paolo Giannozzi
- [Pw_forum] a question about a calculation on a relatively large system
Peter Winey
- [Pw_forum] a question about a calculation on a relatively large system
degironc
- [Pw_forum] a question about a calculation on a relatively large system
Peter Winey
- [Pw_forum] About (7,3) nanowire coordinates
A Sen
- [Pw_forum] About (7,3) nanowire coordinates
stewart at cnf.cornell.edu
- [Pw_forum] About Pseudo-Potential generation
Lawrence Lee
- [Pw_forum] About Pseudo-Potential generation
Paolo Giannozzi
- [Pw_forum] About Pseudo-Potential generation
Lawrence Lee
- [Pw_forum] About Pseudo-Potential generation
Paolo Giannozzi
- [Pw_forum] about the displacive instabilities
li yan
- [Pw_forum] about the displacive instabilities
Stefano Baroni
- [Pw_forum] about the projected phonon DOS
li niu
- [Pw_forum] about the projected phonon DOS
Paolo Giannozzi
- [Pw_forum] Acoustic branches
meheut at impmc.jussieu.fr
- [Pw_forum] Acoustic branches
degironc
- [Pw_forum] Acoustic branches
Stefano Baroni
- [Pw_forum] Acoustic branches
merlin.meheut at impmc.jussieu.fr
- [Pw_forum] Acoustic branches
Stefano Baroni
- [Pw_forum] ask question
wang yanchao
- [Pw_forum] ask question
Stefano Baroni
- [Pw_forum] ask question
wang yanchao
- [Pw_forum] ask question
Stefano Baroni
- [Pw_forum] average.x
ÇÍÓÇä ÚÑíÞÇÊ
- [Pw_forum] average.x
Xunlei Ding
- [Pw_forum] average.x
Axel Kohlmeyer
- [Pw_forum] Ba ultrasoft psp
Jess Kondor
- [Pw_forum] Ba ultrasoft psp
Axel Kohlmeyer
- [Pw_forum] bug in atlas
Prashant Shevgaonkar
- [Pw_forum] bug in atlas
Konstantin Kudin
- [Pw_forum] bug in atlas
Axel Kohlmeyer
- [Pw_forum] bug in atlas
Marcos Verissimo Alves
- [Pw_forum] calculating magnetic moment
Rudra
- [Pw_forum] calculating magnetic moment
Prasenjit Ghosh
- [Pw_forum] calculating the stress tensor
Nichols A. Romero
- [Pw_forum] Can anyone explain my errors in vasp
daya sagar
- [Pw_forum] Can anyone explain my errors in vasp
Axel Kohlmeyer
- [Pw_forum] Can anyone explain my errors in vasp
Sanjeev Kumar Gupta
- [Pw_forum] Can anyone explain my errors in vasp
Rudra
- [Pw_forum] cohesive energy of C60
Jose Manuel Napoles Duarte
- [Pw_forum] cohesive energy of C60
Paolo Giannozzi
- [Pw_forum] compilation problem
Vivek Ranjan
- [Pw_forum] compilation problem
Axel Kohlmeyer
- [Pw_forum] Debye temp, phonon DOS and sum rules.
Miguel Martínez Canales
- [Pw_forum] Debye temp, phonon DOS and sum rules.
Paolo Giannozzi
- [Pw_forum] Debye temp, phonon DOS and sum rules.
Miguel Martínez Canales
- [Pw_forum] Debye temp, phonon DOS and sum rules.
Paolo Giannozzi
- [Pw_forum] difference between molecular dynamics of PW and that of CPMD
Lawrence Lee
- [Pw_forum] difference between molecular dynamics of PW and that of CPMD
Axel Kohlmeyer
- [Pw_forum] electrical conductivity
Amin Babazadeh
- [Pw_forum] electrical conductivity
Alexandre Smogunov
- [Pw_forum] electrical conductivity
Amin Babazadeh
- [Pw_forum] electrical conductivity
Alexandre Smogunov
- [Pw_forum] electrical conductivity
Amin Babazadeh
- [Pw_forum] Electron affinity calculation
Alexander Shaposhnikov
- [Pw_forum] Electron affinity calculation
Stefano Baroni
- [Pw_forum] Electron affinity calculation
Alexander Shaposhnikov
- [Pw_forum] Electron affinity calculation
Alexander Shaposhnikov
- [Pw_forum] Electron affinity calculation
Davide Ceresoli
- [Pw_forum] Electron affinity calculation
Stefano Baroni
- [Pw_forum] Electron affinity calculation
Alexander Shaposhnikov
- [Pw_forum] Electron affinity calculation
Davide Ceresoli
- [Pw_forum] Electron affinity calculation
Stefano Baroni
- [Pw_forum] error
Rudra
- [Pw_forum] error
Paolo Giannozzi
- [Pw_forum] Force constant
Sanjeev Kumar Gupta
- [Pw_forum] Free energy w.r.t. T and QHA
W. YU
- [Pw_forum] Free energy w.r.t. T and QHA
degironc
- [Pw_forum] RE: Free energy w.r.t. T and QHA
W. YU
- [Pw_forum] RE: Free energy w.r.t. T and QHA
degironc
- [Pw_forum] Free energy w.r.t. T and QHA
W. YU
- [Pw_forum] Free energy w.r.t. T and QHA
Stefano Baroni
- [Pw_forum] Re: Free energy w.r.t. T and QHA
Eduardo Ariel Menendez P
- [Pw_forum] Hi, how to generate the pseudopotentials of I element?
yupiaofei(SDU)
- [Pw_forum] Hi, how to generate the pseudopotentials of I element?
Axel Kohlmeyer
- [Pw_forum] How does PWSCF deal with charged solids?
xqhu at duke.edu
- [Pw_forum] How does PWSCF deal with charged solids?
Paolo Giannozzi
- [Pw_forum] How to eliminate imaginary frequencies in phonon calculations
Chaohao Hu
- [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?
ruizhi zhang
- [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?
degironc
- [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?
Eyvaz Isaev
- [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?
Stefano Baroni
- [Pw_forum] how to use lambda.x to get Eliashberg coefficient "alpha^2F(w)"?
陳 少華
- [Pw_forum] how to use lambda.x to get Eliashberg coefficient "alpha^2F(w)"?
Paolo Giannozzi
- [Pw_forum] How to use upftools ( where is the manual about upftools)
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] How to use upftools ( where is the manual about upftools)
Axel Kohlmeyer
- [Pw_forum] Induced charge density, phonon.
Vasile Chis
- [Pw_forum] Integrated DOS in dos.x output is not consistent in nelec
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] Integrated DOS in dos.x output is not consistent in nelec
Andrea Ferretti
- [Pw_forum] MD simulations of polar liquids
Nichols A. Romero
- [Pw_forum] MD simulations of polar liquids
Paul Tangney
- [Pw_forum] MD simulations of polar liquids
Nichols A. Romero
- [Pw_forum] MD simulations of polar liquids
Axel Kohlmeyer
- [Pw_forum] misunderstanding on code to determine Fermi energy
W. YU
- [Pw_forum] misunderstanding on code to determine Fermi energy
Paolo Giannozzi
- [Pw_forum] RE: misunderstanding on code to determine Fermi energy
W. YU
- [Pw_forum] RE: misunderstanding on code to determine Fermi energy
W. YU
- [Pw_forum] NaN
Ezad Shojaee
- [Pw_forum] NaN in phonon
Ezad Shojaee
- [Pw_forum] NaN in phonon
Paolo Giannozzi
- [Pw_forum] NaN in Phonon
Ezad Shojaee
- [Pw_forum] NaN in Phonon
Ezad Shojaee
- [Pw_forum] NaN in Phonon
Paolo Giannozzi
- [Pw_forum] need hints for running pw.x on BG/L
Axel Kohlmeyer
- [Pw_forum] nosym=.true. in molecular dynamics by PWSCF
Lawrence Lee
- [Pw_forum] nosym=.true. in molecular dynamics by PWSCF
Axel Kohlmeyer
- [Pw_forum] nuclear charge change
Amin Babazadeh
- [Pw_forum] nuclear charge change
Axel Kohlmeyer
- [Pw_forum] On tne optimization error in PbTiO3
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] On tne optimization error in PbTiO3
degironc
- [Pw_forum] On tne optimization error in PbTiO3
Axel Kohlmeyer
- [Pw_forum] Parallel error on the cluster
Shujun Hu
- [Pw_forum] parallel pw.x memory requirements
Alexander Shaposhnikov
- [Pw_forum] parallel pw.x memory requirements
Axel Kohlmeyer
- [Pw_forum] parallel pw.x memory requirements
Paolo Giannozzi
- [Pw_forum] Parallelization of diaghg
Alexander Shaposhnikov
- [Pw_forum] Parallelization of diaghg
Axel Kohlmeyer
- [Pw_forum] Parallelization of diaghg
Alexander Shaposhnikov
- [Pw_forum] Parallelization of diaghg
Axel Kohlmeyer
- [Pw_forum] Parallelization of diaghg
Alexander Shaposhnikov
- [Pw_forum] Parallelization of diaghg
Paolo Giannozzi
- [Pw_forum] ph.x v3.2 on NEC SX-8
Paolo Giannozzi
- [Pw_forum] ph.x v3.2 on NEC SX-8
wlyim at puccini.che.pitt.edu
- [Pw_forum] ph.x v3.2 on NEC SX-8
Paolo Giannozzi
- [Pw_forum] ph.x v3.2 on NEC SX-8
wlyim at puccini.che.pitt.edu
- [Pw_forum] ph.x v3.2 on NEC SX-8
Axel Kohlmeyer
- [Pw_forum] ph.x v3.2 on NEC SX-8
Paolo Giannozzi
- [Pw_forum] Please delete the Message "Parallel error on the cluster"
Shujun Hu
- [Pw_forum] Please delete the Message "Parallel error on the cluster"
Axel Kohlmeyer
- [Pw_forum] Plot phonon dispersion
Igor R. Shein
- [Pw_forum] Plot phonon dispersion
Eyvaz Isaev
- [Pw_forum] Plot phonon dispersion
Igor R. Shein
- [Pw_forum] problem compiling espresso-3.2 in SGI origin machine
halim said
- [Pw_forum] problem compiling espresso-3.2 in SGI origin machine
Axel Kohlmeyer
- [Pw_forum] problem compiling espresso-3.2 in SGI origin machine
halim said
- [Pw_forum] problem compiling espresso-3.2 in SGI origin machine
Axel Kohlmeyer
- [Pw_forum] problem in DOS
Javad hashemifar
- [Pw_forum] problem in DOS
Paolo Giannozzi
- [Pw_forum] problem in DOS
Javad hashemifar
- [Pw_forum] problem in DOS
Javad hashemifar
- [Pw_forum] problem in DOS
Paolo Giannozzi
- [Pw_forum] problem in DOS
Javad hashemifar
- [Pw_forum] problem in DOS
Axel Kohlmeyer
- [Pw_forum] Problem in pp.x
Marcos Verissimo Alves
- [Pw_forum] Problem in pp.x
Axel Kohlmeyer
- [Pw_forum] Problem in pp.x
Paolo Giannozzi
- [Pw_forum] Problem in pp.x
Javad hashemifar
- [Pw_forum] problem in relaxation by using bfgs
Paolo Giannozzi
- [Pw_forum] problem in relaxation by using bfgs
Javad hashemifar
- [Pw_forum] processing large charge_density and spin_density xml files
stewart at cnf.cornell.edu
- [Pw_forum] processing large charge_density and spin_density xml files
Paolo Giannozzi
- [Pw_forum] processing large charge_density and spin_density xml files
Axel Kohlmeyer
- [Pw_forum] projected phonon DOS
li niu
- [Pw_forum] projected phonon DOS
Paolo Giannozzi
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1296 - 13 msgs
Amit Kumar
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1300 - 8 msgs
surendra prasad
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs
Amit Kumar
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs
Malgorzata Wierzbowska
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs
Srijan Kumar Saha
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs
Malgorzata Wierzbowska
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs
Srijan Kumar Saha
- [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs
Malgorzata Wierzbowska
- [Pw_forum] q not allowed
Ezad Shojaee
- [Pw_forum] q not allowed
Eyvaz Isaev
- [Pw_forum] QHA code
Eyvaz Isaev
- [Pw_forum] QHA code
Paolo Giannozzi
- [Pw_forum] Question about Example10
lan haiping
- [Pw_forum] Question about Example10
Paolo Giannozzi
- [Pw_forum] Question about Example10
lan haiping
- [Pw_forum] Question about Example10
lan haiping
- [Pw_forum] Question about Example10
Paolo Giannozzi
- [Pw_forum] Question about Example10
lan haiping
- [Pw_forum] question on the pressure in molecular dynamics
Eduardo Ariel Menendez P
- [Pw_forum] question on the pressure in molecular dynamics
Eduardo Ariel Menendez P
- [Pw_forum] question on the pressure in molecular dynamics
degironc
- [Pw_forum] question on the pressure in molecular dynamics
Davide Ceresoli
- [Pw_forum] question on the pressure in molecular dynamics
Nicola Marzari
- [Pw_forum] questions on molecular dynamics example
Paolo Giannozzi
- [Pw_forum] Raman Intensity
Yuanxu WANG
- [Pw_forum] Raman spectra of amorphous materials
li niu
- [Pw_forum] Raman spectra of amorphous materials
Nicola Marzari
- [Pw_forum] Sorry
Eyvaz Isaev
- [Pw_forum] The choice of Acoustic Sum Rule for crystal
naivebamboo Huang
- [Pw_forum] The choice of Acoustic Sum Rule for crystal
Matteo Cococcioni
- [Pw_forum] The choice of Acoustic Sum Rule for crystal
Matteo Cococcioni
- [Pw_forum] The choice of Acoustic Sum Rule for crystal
naivebamboo Huang
- [Pw_forum] The choice of Acoustic Sum Rule for crystal
e kb
- [Pw_forum] The choice of Acoustic Sum Rule for crystal
Nicola Marzari
- [Pw_forum] vc-relax with PW
Konstantin Kudin
- [Pw_forum] Zr, Y and Lu NC pseudo
jeremie
- [Pw_forum] Zr, Y and Lu NC pseudo
Paolo Giannozzi
Last message date:
Wed Jan 31 22:49:04 CET 2007
Archived on: Tue Jul 10 14:24:16 CEST 2007
This archive was generated by
Pipermail 0.09 (Mailman edition).