siesta-l
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2009/05/15
[SIESTA-L] empty output in plstm
Руслан Жачук
2009/05/15
Re: [SIESTA-L] memory requirement
Pablo A. Denis
2009/05/15
Re: [SIESTA-L] Quad-core question?
Walter Cañón
2009/05/15
Re: [SIESTA-L] memory requirement
Ricardo Faccio
2009/05/15
[SIESTA-L] memory requirement
Walter Cañón
2009/05/15
[SIESTA-L] help fiel for make.arch?
Jonas Baltrusaitis
2009/05/15
[SIESTA-L] orderN calculation stability
Rabone, Jeremy
2009/05/15
Re: [SIESTA-L] Quad-core question?
Marcel Mohr
2009/05/14
[SIESTA-L] Quad-core question?
Walter Cañón
2009/05/14
Re: [SIESTA-L] ./configure: Permission denied
Ravi Agrawal
2009/05/14
Re: [SIESTA-L] ./configure: Permission denied
Jonas Baltrusaitis
2009/05/14
Re: [SIESTA-L] ./configure: Permission denied
Jonas Baltrusaitis
2009/05/14
Re: [SIESTA-L] ./configure: Permission denied
Edan Scriven
2009/05/14
[SIESTA-L] ./configure: Permission denied
Jonas Baltrusaitis
2009/05/13
Re: [SIESTA-L] Numerical radial shape
apostnik
2009/05/13
[SIESTA-L] Numerical radial shape
John Appleton
2009/05/12
[SIESTA-L] ElectronicTemperature sensitivity
Zhu Xi
2009/05/12
[SIESTA-L] solid vs molecule pressure
David Strubbe
2009/05/11
[SIESTA-L] Na.psf
Jiaye, LI
2009/05/11
[SIESTA-L] create new account?
Jonas Baltrusaitis
2009/05/11
Re: [SIESTA-L] Negative vibrational frequencies
R.C.Pasianot
2009/05/11
Re: [SIESTA-L] problem on Diag.ParallelOverK
Hiromasa OHNISHI
2009/05/08
[SIESTA-L] STM image for not rectangular cell: Si(111)-7x7
Руслан Жачук
2009/05/07
[SIESTA-L] problem on Diag.ParallelOverK
Hiromasa OHNISHI
2009/05/06
[SIESTA-L] dielectric tensor
tim evans
2009/05/06
[SIESTA-L] Siesta-Parallel-Runtime-Seg Fault-Error
Zhiping Xu
2009/05/06
[SIESTA-L] Siesta-Parallel-Runtime-Seg Fault-Error
Zhiping Xu
2009/05/06
[SIESTA-L] spanning vectors
florine bonald
2009/05/05
[SIESTA-L] new account
Jonas Baltrusaitis
2009/05/04
[SIESTA-L] Fwd: Re: [SIESTA-L] SIESTA School Announcement
Iris Kohlbach
2009/05/04
Re: [SIESTA-L] SIESTA School Announcement
Iris Kohlbach
2009/05/04
Re: [SIESTA-L] SIESTA School Announcement
N H
2009/05/04
[SIESTA-L] approving a new account
Jonas Baltrusaitis
2009/05/04
Re: [SIESTA-L] error in LDOS and PDOS
Sarah Lebedev
2009/05/04
Re: [SIESTA-L] error in LDOS and PDOS
Pablo Aguado
2009/05/04
Re: [SIESTA-L] error in LDOS and PDOS
Sarah Lebedev
2009/05/04
Re: [SIESTA-L] occupation
Zhu Xi
2009/05/04
Re: [SIESTA-L] error in LDOS and PDOS
Pablo Aguado
2009/05/03
Re: [SIESTA-L] single input to perform several tasks
Jonas Baltrusaitis
2009/05/03
Re: [SIESTA-L] single input to perform several tasks
Marcos Verissimo Alves
2009/05/02
[SIESTA-L] single input to perform several tasks
Jonas Baltrusaitis
2009/05/02
Re: [SIESTA-L] error in LDOS and PDOS
Oleksandr Voznyy
2009/05/02
[SIESTA-L] error in LDOS and PDOS
Sarah Lebedev
2009/05/02
Re: [SIESTA-L] fermi level in plots
Marcos Verissimo Alves
2009/05/02
[SIESTA-L] fermi level in plots
tim evans
2009/04/29
Re: [SIESTA-L] SIESTA School Announcement
Padilha
2009/04/29
Re: [SIESTA-L] SIESTA School Announcement
Jose A.
2009/04/29
Re: [SIESTA-L] SIESTA School Announcement
Nicolas Leconte
2009/04/28
[SIESTA-L] Optical Calculation Problem
Christopher Rowan
2009/04/27
Re: [SIESTA-L] SIESTA School Announcement
Jose A.
2009/04/27
Re: [SIESTA-L] SIESTA School Announcement
Jose A.
2009/04/25
Re: [SIESTA-L] SIESTA School Announcement
Nicolas Leconte
2009/04/25
Re: [SIESTA-L] SIESTA School Announcement
N H
2009/04/25
[SIESTA-L] infrared intensities, solved?
Markus Kaukonen
2009/04/24
Re: [SIESTA-L] SIESTA School Announcement
Jose A.
2009/04/24
Re: [SIESTA-L] SIESTA School Announcement
Emma del Rio
2009/04/22
Re: [SIESTA-L] SIESTA with PGI8 anyone?
Min Cheol Kim
2009/04/21
[SIESTA-L] SIESTA with PGI8 anyone?
Joachim Hein
2009/04/17
Re: [SIESTA-L] band mixing problem with siesta
Pablo A. Denis
2009/04/17
Re: [SIESTA-L] band mixing problem with siesta
Jeffei Xu
2009/04/16
[SIESTA-L] Question about Hartree
Barraza-lopez, Salvador
2009/04/16
[SIESTA-L] kgrid_Monkhorst_Pack
Yuvos Haye
2009/04/15
Re: [SIESTA-L] Negative vibrational frequencies
apostnik
2009/04/15
Re: [SIESTA-L] Negative vibrational frequencies
R.C.Pasianot
2009/04/15
Re: [SIESTA-L] Negative vibrational frequencies
apostnik
2009/04/15
Re: [SIESTA-L] Negative vibrational frequencies
R.C.Pasianot
2009/04/14
Re: [SIESTA-L] band mixing problem with siesta
Pablo A. Denis
2009/04/14
[SIESTA-L] memory corruption when doing optical calculation
syk
2009/04/14
Re: [SIESTA-L] Negative vibrational frequencies
apostnik
2009/04/14
[SIESTA-L] Negative vibrational frequencies
R.C.Pasianot
2009/04/14
Re: [SIESTA-L] band mixing problem with siesta
apostnik
2009/04/14
Re: [SIESTA-L] pdosxml - fmpdos
apostnik
2009/04/14
[SIESTA-L] band mixing problem with siesta
Pablo A. Denis
2009/04/14
[SIESTA-L] pdosxml - fmpdos
Sarah Lebedev
2009/04/13
[SIESTA-L] hello
siestalove
2009/04/11
[SIESTA-L] Siesta-Parallel-Compilation Error
bjnagare
2009/04/10
[SIESTA-L] Parallel Calculation Loading Issues
Min Cheol Kim
2009/04/09
[SIESTA-L] infrared peak intensities ?
Markus Kaukonen
2009/04/07
Re: [SIESTA-L] atom index in non collinear spin
asa aravindh
2009/04/07
Re: [SIESTA-L] Anyone know how Siesta calculate the Fermi Level
David Strubbe
2009/04/07
[SIESTA-L] Anyone know how Siesta calculate the Fermi Level
pei zhao
2009/04/07
Re: [SIESTA-L] atom index in non collinear spin
Lucas Fernandez Seivane
2009/04/07
Re: [SIESTA-L] atom index in non collinear spin
asa aravindh
2009/04/06
Re: [SIESTA-L] atom index in non collinear spin
Ricardo Faccio
2009/04/06
[SIESTA-L] atom index in non collinear spin
asa aravindh
2009/04/06
Re: [SIESTA-L] single excitation for unpolarized sturucture
Sarah Lebedev
2009/04/06
[SIESTA-L] Bug in VIBRA ?
R.C.Pasianot
2009/04/05
Re: [SIESTA-L] single excitation for unpolarized sturucture
Marcos Verissimo Alves
2009/04/05
[SIESTA-L] single excitation for unpolarized sturucture
Sarah Lebedev
2009/04/04
Re: [SIESTA-L] plotting difficulty
apostnik
2009/04/04
Re: [SIESTA-L] GUI
Szyja, B.M.
2009/04/04
[SIESTA-L] plotting difficulty
catrina desport
2009/04/03
Re: [SIESTA-L] GUI
florine bonald
2009/04/03
Re: [SIESTA-L] GUI
Lucas Fernandez Seivane
2009/04/03
Re: [SIESTA-L] GUI
Lucas Fernandez Seivane
2009/04/03
[SIESTA-L] GUI
Ary Junior
2009/04/03
[SIESTA-L] NGC/CSTC 2009 meeting: Abstract submission deadline - May 1st (final)
Anatoli Korkin
2009/04/03
Re: [SIESTA-L] Using XC.hybrid functinal with CuAu
Iyad Hijazi
2009/04/02
Re: [SIESTA-L] Using XC.hybrid functinal with CuAu
Bharat Medasani
2009/04/02
[SIESTA-L] Using XC.hybrid functinal with CuAu
Iyad Hijazi
2009/04/02
[SIESTA-L] a bug in siesta's %block BandLines
shanghui
2009/04/01
Re: [SIESTA-L] Computer confiuration suitable for Siesta
vikas sharma
2009/04/01
Re: [SIESTA-L] Computer confiuration suitable for Siesta
Serhan Yamacli
2009/04/01
Re: [SIESTA-L] Computer confiuration suitable for Siesta
Heiko Dumlich
2009/03/31
[SIESTA-L] Computer confiuration suitable for Siesta
Serhan Yamacli
2009/03/31
Re: [SIESTA-L] mulliken population?
zhiyong wang
2009/03/31
Re: [SIESTA-L] mulliken population?
zhiyong wang
2009/03/31
Re: [SIESTA-L] mulliken population?
apostnik
2009/03/31
Re: [SIESTA-L] mulliken population?
Marcos Verissimo Alves
2009/03/31
[SIESTA-L] Research Scientist position
fabio della sala
2009/03/31
[SIESTA-L] mulliken population?
zhiyong wang
2009/03/31
[SIESTA-L] On tutorials
Markus Kaukonen
2009/03/29
[SIESTA-L] problem with diagonalisation
Gregory Geneste
2009/03/29
[SIESTA-L] Failure to converge standard eigenproblem error
Zeila Zanolli
2009/03/29
Re: [SIESTA-L] error in 4A CNTs calculation!
Rose Mary
2009/03/29
Re: [SIESTA-L] error in 4A CNTs calculation!
Serhan Yamacli
2009/03/29
[SIESTA-L] error in 4A CNTs calculation!
Rose Mary
2009/03/29
Re: [SIESTA-L] MeshCutoff Convergence Test
apostnik
2009/03/28
[SIESTA-L] MeshCutoff Convergence Test
Min Cheol Kim
2009/03/26
Re: [SIESTA-L] number of H in passivated structures.
Oleksandr Voznyy
2009/03/26
Re: [SIESTA-L] about DRHO?
Oleksandr Voznyy
2009/03/25
[SIESTA-L] number of H in passivated structures.
Sarah Lebedev
2009/03/22
Re: [SIESTA-L] Convergence of force constants/frequency
Zubaer Hossain
2009/03/22
Re: [SIESTA-L] Convergence of force constants/frequency
Zubaer Hossain
2009/03/22
Re: [SIESTA-L] Convergence of force constants/frequency
apostnik
2009/03/21
[SIESTA-L] Convergence of force constants/frequency
Zubaer Hossain
2009/03/19
[SIESTA-L] Germanium pseudo with d electrons in the valence
Giacomo Giorgi
2009/03/19
Re: [SIESTA-L] Constrained cell optimization
Marcos Verissimo Alves
2009/03/19
Re: [SIESTA-L] Constrained cell optimization
Marcos Verissimo Alves
2009/03/19
Re: [SIESTA-L] Strange band structure
apostnik
2009/03/19
[SIESTA-L] Constrained cell optimization
Gregory Geneste
2009/03/18
Re: [SIESTA-L] Reproducing VASP k-points
Marcel Mohr
2009/03/18
[SIESTA-L] Reproducing VASP k-points
Markus Kaukonen
2009/03/17
Re: [SIESTA-L] about DRHO?
zhiyong wang
2009/03/17
[SIESTA-L] Bromine PBE-GGA
Renato Borges Pontes
2009/03/15
Re: [SIESTA-L] Strange band structure
apostnik
2009/03/15
[SIESTA-L] parallel command
tim evans
2009/03/14
Re: [SIESTA-L] Strange band structure
apostnik
2009/03/12
Re: [SIESTA-L] How can I get the Parallel version!?
Sébastien Le Roux
2009/03/11
Re: [SIESTA-L] How can I get the Parallel version!?
kuilin lu
2009/03/11
[SIESTA-L] Electrostatic potential calculated by Siesta
Brad Wells
2009/03/11
Re: [SIESTA-L] basis size problem
Oleksandr Voznyy
2009/03/11
[SIESTA-L] basis size problem
Руслан Жачук
2009/03/11
[SIESTA-L] How can I get the Parallel version!?
N H
2009/03/10
[SIESTA-L] denchar compilation
Oleksandr Voznyy
2009/03/09
Re: [SIESTA-L] psudopotential & basis
HeeSung Choi
2009/03/09
Re: [SIESTA-L] psudopotential & basis
Serhan Yamacli
2009/03/09
Re: [SIESTA-L] psudopotential & basis
HeeSung Choi
2009/03/09
[SIESTA-L] psudopotential & basis
Rose Mary
2009/03/09
Re: [SIESTA-L] about DRHO?
zhiyong wang
2009/03/08
Re: [SIESTA-L] about DRHO?
Oleksandr Voznyy
2009/03/08
[SIESTA-L] about compile with intel fortran , mkl, mpich
Yuanliang Xie
2009/03/08
[SIESTA-L] about DRHO?
zhiyong wang
2009/03/03
[SIESTA-L] Problem with writing bands
Joachim Fürst
2009/03/03
[SIESTA-L] Strange problem with basis set definition
Lianheng Tong
2009/03/03
Re: [SIESTA-L] help about rho2xsf!!!
apostnik
2009/03/02
Re: [SIESTA-L] help about rho2xsf!!!
pei zhao
2009/03/02
Re: [SIESTA-L] PP and basis set for Aluminum
Marcos Verissimo Alves
2009/03/02
[SIESTA-L] dmol basis set?
Lianheng Tong
2009/03/02
Re: [SIESTA-L] PP and basis set for Aluminum
Marcos Verissimo Alves
2009/03/02
[SIESTA-L] PP and basis set for Aluminum
XiaoHaiyan
2009/03/01
[SIESTA-L] question about mulliken: Atomic and Orbital Populations
zhiyong wang
2009/02/27
[SIESTA-L] Maximum dynamic memory allocated
Руслан Жачук
2009/02/26
Re: [SIESTA-L] cross section calculation
Pavel B Sorokin
2009/02/26
[SIESTA-L] Neutral atom potential
Zubaer Hossain
2009/02/26
Re: [SIESTA-L] cross section calculation
Riccardo Rurali
2009/02/26
[SIESTA-L] cross section calculation
Sarah Lebedev
2009/02/25
[SIESTA-L] single excitation theory
Julie Smart
2009/02/22
Re: [SIESTA-L] Parallel Siesta compiled for Windows
Nguyen Ngoc Ha
2009/02/22
[SIESTA-L] Parallel Siesta compiled for Windows
Brad Wells
2009/02/22
[SIESTA-L] GGA-PBE pseudo for Mg and O
asa aravindh
2009/02/22
Re: [SIESTA-L] charge density problem
Lucas Fernandez Seivane
2009/02/22
Re: [SIESTA-L] charge density problem
Sarah Lebedev
2009/02/22
[SIESTA-L] charge density problem
Sarah Lebedev
2009/02/22
Re: [SIESTA-L] charge density problem
Lucas Fernandez Seivane
2009/02/21
[SIESTA-L] How to introduce vacuum layer?
pei zhao
2009/02/21
[SIESTA-L] Re : [SIESTA-L] plotting band-structure
Dahbia Ammi
2009/02/21
[SIESTA-L] plotting band-structure
catrina desport
2009/02/20
Re: [SIESTA-L] siesta in sunfire solaris
Lucas Fernandez Seivane
2009/02/20
Re: [SIESTA-L] changes of energy for a system under strain
R.C.Pasianot
2009/02/20
[SIESTA-L] changes of energy for a system under strain
Julie Smart
2009/02/20
[SIESTA-L] siesta in sunfire solaris
Lamjed debbichi
2009/02/19
[SIESTA-L] Parallel run - request for resources in PBS Pro
Руслан Жачук
2009/02/18
Re: [SIESTA-L] About wxml
apostnik
2009/02/18
Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP
Mehmet Topsakal
2009/02/18
Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP
Lucas Fernandez Seivane
2009/02/18
Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP
Marcel Mohr
2009/02/18
Re: [SIESTA-L] Obviously poor PARALLEL performance compared to VASP
R.C.Pasianot
2009/02/18
[SIESTA-L] Obviously poor PARALLEL performance compared to VASP
Mehmet Topsakal
2009/02/18
Re: [SIESTA-L] About wxml
Oleksandr Voznyy
2009/02/18
Re: [SIESTA-L] Errors in PARALLEL run: collective abort of all ranks
R.C.Pasianot
2009/02/18
[SIESTA-L] About wxml
Marcos Verissimo Alves
2009/02/18
[SIESTA-L] Errors in PARALLEL run: collective abort of all ranks
Руслан Жачук
2009/02/17
Re: [SIESTA-L] Parameters for InAs?
Oleksandr Voznyy
2009/02/17
[SIESTA-L] Parameters for InAs?
Lianheng Tong
2009/02/17
[SIESTA-L] density matrix format
Anders Odell
2009/02/16
[SIESTA-L] PolarizationGrids for slabs and wires
florine bonald
2009/02/16
[SIESTA-L] New SIESTA Website
Jose A.
2009/02/15
Re: [SIESTA-L] Problem about modules (urgent!)
florine bonald
2009/02/15
[SIESTA-L] Problem about modules (urgent!)
florine bonald
Earlier messages
Later messages