siesta-l
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2008/12/05
[SIESTA-L] Question about polarization
Ravi Agrawal
2008/12/05
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
2008/12/05
Re: [SIESTA-L] parameters for Si slab calculation
Jose A. Torres
2008/12/05
Re: [SIESTA-L] Still energy differences and BSSE corrections
Xavier Cartoixa Soler
2008/12/05
[SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
2008/12/05
Re: [SIESTA-L] gen-basis usage error
Alexandre Lebon
2008/12/04
[SIESTA-L] gen-basis usage error
Charles Chen
2008/12/04
Re: [SIESTA-L] Stability
Jose A. Torres
2008/12/04
Re: [SIESTA-L] parameters for Si slab calculation
Jose A. Torres
2008/12/04
[SIESTA-L] crazy SCF loop
Gregory Geneste
2008/12/04
Re: [SIESTA-L] crazy SCF loop
Marcos Verissimo Alves
2008/12/03
[SIESTA-L] Ti and O Psp in optimize TiO2 anatase
Charles Chen
2008/12/02
[SIESTA-L] SIESTA user on BlueGene-P systems
Ravi Agrawal
2008/12/01
[SIESTA-L] Error to compile SIESTA on parallel version
Peyman Amiri
2008/12/01
Re: [SIESTA-L] PAO.EnergyShift convergence problem
apostnik
2008/12/01
[SIESTA-L] Charge initialization
Marcos Verissimo Alves
2008/12/01
Re: [SIESTA-L] PAO.EnergyShift convergence problem
Руслан Жачук
2008/12/01
Re: [SIESTA-L] PAO.EnergyShift convergence problem
apostnik
2008/11/30
[SIESTA-L] PAO.EnergyShift convergence problem
Руслан Жачук
2008/11/30
[SIESTA-L] Really need help on input.f
Hana Milani
2008/11/29
[SIESTA-L] Re : [SIESTA-L] dielectric function
Dahbia Ammi
2008/11/29
[SIESTA-L] dielectric function
Hana Milani
2008/11/28
Re: [SIESTA-L] The sense of MeshCutoff parameter in SIESTA
Philippe Blaise
2008/11/26
[SIESTA-L] density
Juliana Morbec
2008/11/26
[SIESTA-L] Re : [SIESTA-L] PAO.BasisSizes problem
cornil david
2008/11/26
[SIESTA-L] PAO.BasisSizes problem
Руслан Жачук
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
apostnik
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
catrina desport
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
apostnik
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
Yurko Natanzon
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
N H
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
catrina desport
2008/11/25
Re: [SIESTA-L] URGENT (supercell for bulk)
apostnik
2008/11/25
[SIESTA-L] URGENT (supercell for bulk)
catrina desport
2008/11/23
[SIESTA-L] SIESTA and OPIUM: local part
Marcel Mohr
2008/11/21
Re: [SIESTA-L] surface energy with h passivation
Руслан Жачук
2008/11/21
[SIESTA-L] parameters for Si slab calculation
Руслан Жачук
2008/11/19
[SIESTA-L] The sense of MeshCutoff parameter in SIESTA
Руслан Жачук
2008/11/19
Re: [SIESTA-L] The sense of MeshCutoff parameter in SIESTA
apostnik
2008/11/18
[SIESTA-L] z-matrix constrains
Szyja, B.M.
2008/11/17
[SIESTA-L] surface energy with h passivation
Chol-Jun Yu
2008/11/14
[SIESTA-L] transition metal calculation
HeeSung Choi
2008/11/13
[SIESTA-L] Once more... the dreaded Cholesky bug
Marcos Verissimo Alves
2008/11/13
[SIESTA-L] constraint subroutine
sara yazdani
2008/11/13
[SIESTA-L] Stability
Subhra Kulshrestha
2008/11/08
[SIESTA-L] Silly question about External Electric Field
Nikita Simonian
2008/11/08
Re: [SIESTA-L] pseudopotential question
apostnik
2008/11/07
[SIESTA-L] pseudopotential question
HeeSung Choi
2008/11/07
[SIESTA-L] pseudopotential file in the website
HeeSung Choi
2008/11/07
Re: [SIESTA-L] Crazy SCF with vanadium
Joachim Fürst
2008/11/07
[SIESTA-L] N chemical potential from NH3
Pablo A. Denis
2008/11/06
Re: [SIESTA-L] Question regarding subroutine reclat
apostnik
2008/11/06
Re: [SIESTA-L] Crazy SCF with vanadium
apostnik
2008/11/06
[SIESTA-L] Question regarding subroutine reclat
Marcos Verissimo Alves
2008/11/06
Re: [SIESTA-L] Crazy SCF with vanadium
Joachim Fürst
2008/11/06
Re: [SIESTA-L] multiple LDOS output
Javad Hashemi
2008/11/06
[SIESTA-L] multiple LDOS output
Руслан Жачук
2008/11/06
Re: [SIESTA-L] Broadening Parameter within PDOS
apostnik
2008/11/05
[SIESTA-L] geometry correction!
sara yazdani
2008/11/05
Re: [SIESTA-L] Plrho compilation problem
Serhan Yamacli
2008/11/05
Re: [SIESTA-L] Bulk cohesion energy
Roberto Veiga
2008/11/05
Re: [SIESTA-L] Crazy SCF with vanadium
Joachim Fürst
2008/11/05
Re: [SIESTA-L] Crazy SCF with vanadium
apostnik
2008/11/05
Re: [SIESTA-L] Crazy SCF with vanadium
Alexandre Lebon
2008/11/04
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Broadening Parameter within PDOS
Sushil Auluck
2008/11/04
Re: [SIESTA-L]
Oleksandr Voznyy
2008/11/04
[SIESTA-L]
Xu Lu
2008/11/04
Re: [SIESTA-L]
Oleksandr Voznyy
2008/11/04
[SIESTA-L] Broadening Parameter within PDOS
Thomas Sadowski
2008/11/04
Re: [SIESTA-L] Crazy SCF with vanadium
apostnik
2008/11/04
Re: [SIESTA-L]
Xu Lu
2008/11/04
Re: [SIESTA-L] Crazy SCF with vanadium
Eduardo Anglada
2008/11/04
Re: [SIESTA-L] Crazy SCF with vanadium
Joachim Fürst
2008/11/04
Re: [SIESTA-L] Crazy SCF with vanadium
Marcos Verissimo Alves
2008/11/04
[SIESTA-L] about the optical property calculating?
zhiyong wang
2008/11/04
[SIESTA-L] Crazy SCF with vanadium
Joachim Fürst
2008/11/04
Re: [SIESTA-L]
Pablo A. Denis
2008/11/04
Re: [SIESTA-L] Empy output of PDOS calcilation
Javad Hashemi
2008/11/04
Re: [SIESTA-L] Bulk cohesion energy
Eduardo Anglada
2008/11/04
[SIESTA-L] Stopping at CG move
sara yazdani
2008/11/04
Re: [SIESTA-L] Bulk cohesion energy
Roberto Veiga
2008/11/04
Re: [SIESTA-L]
Yusia Rosee
2008/11/04
Re: [SIESTA-L] Empy output of PDOS calcilation
Eduardo Anglada
2008/11/04
Re: [SIESTA-L] removal
Marcel Mohr
2008/11/04
Re: [SIESTA-L] Bulk cohesion energy
Eduardo Anglada
2008/11/04
[SIESTA-L] Empy output of PDOS calcilation
Javad Hashemi
2008/11/04
Re: [SIESTA-L]
Eduardo Anglada
2008/11/04
Re: [SIESTA-L] removal
Suhaini Ahmad
2008/11/04
[SIESTA-L] removal
Andrzej Sawaryn
2008/11/03
Re: [SIESTA-L] Bulk cohesion energy
Roberto Veiga
2008/11/03
Re: [SIESTA-L]
Xu Lu
2008/11/03
Re: [SIESTA-L] Bulk cohesion energy
Oleksandr Voznyy
2008/11/03
[SIESTA-L] Running Error
sara yazdani
2008/11/03
Re: [SIESTA-L] Bulk cohesion energy
Roberto Veiga
2008/11/03
Re: [SIESTA-L] Plrho compilation problem
Eduardo Anglada
2008/11/03
Re: [SIESTA-L]
Eduardo Anglada
2008/11/02
[SIESTA-L] Problem with Vibrator.....
Arun Kumar Manna
2008/11/02
Re: [SIESTA-L] EIG2DOS Utility
Javad Hashemi
2008/11/02
[SIESTA-L] Problem with convergence using OrderN
Bohdan Andriyevskyy
2008/11/02
[SIESTA-L] EIG2DOS Utility
Johnny Dry
2008/11/02
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] atomic coordinate
Sushil Auluck
2008/11/01
[SIESTA-L] about relativistic effects
Yusia Rosee
2008/11/01
Re: [SIESTA-L]
apostnik
2008/11/01
[SIESTA-L] atomic coordinate
sara yazdani
2008/11/01
[SIESTA-L]
Xu Lu
2008/11/01
Re: [SIESTA-L] Plrho compilation problem
Johnny Dry
2008/10/31
Re: [SIESTA-L] Bulk cohesion energy
Oleksandr Voznyy
2008/10/31
Re: [SIESTA-L] Bulk cohesion energy
Roberto Veiga
2008/10/31
Re: [SIESTA-L] Bulk cohesion energy
Oleksandr Voznyy
2008/10/31
[SIESTA-L] Bulk cohesion energy
Roberto Veiga
2008/10/31
Re: [SIESTA-L] Converting .vps to .psf
Valentin Karassev
2008/10/31
Re: [SIESTA-L] Converting .vps to .psf
Yurko Natanzon
2008/10/31
[SIESTA-L] Converting .vps to .psf
Carsten Rostgaard
2008/10/30
[SIESTA-L] Lacking tools for finding transition states
Nguyen Ngoc Ha
2008/10/30
Re: [SIESTA-L] Plrho compilation problem
Eduardo Anglada
2008/10/30
Re: [SIESTA-L] plstm problem
Eduardo Anglada
2008/10/30
Re: [SIESTA-L] Multigrig solver for Poisson Equation
Eduardo Anglada
2008/10/30
Re: [SIESTA-L] help about rho2xsf!!!
zhiyong wang
2008/10/30
Re: [SIESTA-L] help about rho2xsf!!!
zhiyong wang
2008/10/29
[SIESTA-L] Best linux version and compiler for Siesta and Utils
Johnny Dry
2008/10/29
[SIESTA-L] plstm problem
Руслан Жачук
2008/10/29
Re: [SIESTA-L] help about rho2xsf!!!
apostnik
2008/10/29
[SIESTA-L] Plrho compilation problem
Johnny Dry
2008/10/29
Re: [SIESTA-L] help about rho2xsf!!!
lan haiping
2008/10/29
Re: [SIESTA-L] phonon spectrum
R.C.Pasianot
2008/10/29
[SIESTA-L] help about rho2xsf!!!
zhiyong wang
2008/10/29
[SIESTA-L] Multigrig solver for Poisson Equation
José Eduardo Padilha de Sousa
2008/10/28
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] New version? TRANSIESTA?
Sushil Auluck
2008/10/28
Re: [SIESTA-L] about naive auxiliary cell
Alberto Garcia
2008/10/28
Re: [SIESTA-L] about naive auxiliary cell
Yusia Rosee
2008/10/27
Re: [SIESTA-L] about naive auxiliary cell
shanghui
2008/10/27
Re: [SIESTA-L] New version? TRANSIESTA?
Emilio Artacho
2008/10/27
Re: [SIESTA-L] New version? TRANSIESTA?
Emilio Artacho
2008/10/27
Re: [SIESTA-L] New version? TRANSIESTA?
Stefano Sanvito
2008/10/27
Re: [SIESTA-L] New version? TRANSIESTA?
Zeila Zanolli
2008/10/27
Re: [SIESTA-L] VIBRA negative frequencies?
Michel Sassi
2008/10/27
[SIESTA-L] New version? TRANSIESTA?
Lars Kecke
2008/10/27
Re: [SIESTA-L] VIBRA negative frequencies?
IK. ortega
2008/10/27
[SIESTA-L] VIBRA negative frequencies?
Lars Kecke
2008/10/27
Re: [SIESTA-L] How to generate a pseudo with core electrons?
Marcos Verissimo Alves
2008/10/27
[SIESTA-L] How to generate a pseudo with core electrons?
Roberto Veiga
2008/10/27
[SIESTA-L] about naive auxiliary cell
Yusia Rosee
2008/10/26
[SIESTA-L] Download the latest Siesta?
Nguyen Ngoc Ha
2008/10/25
[SIESTA-L] SIEST-A-RT method: any experience?
Chenggang Zhou
2008/10/25
Re: [SIESTA-L] phonon spectrum
apostnik
2008/10/25
Re: [SIESTA-L] Geometry Constrants not working?
Marcos Verissimo Alves
2008/10/24
Re: [SIESTA-L] Geometry Constrants not working?
Oleksandr Voznyy
2008/10/24
[SIESTA-L] Geometry Constrants not working?
Kamaram Munira
2008/10/24
[SIESTA-L] phonon spectrum
Zhanyu Ning
2008/10/24
Re: [SIESTA-L] I met this problem when compile parallel version ofsiesta-2.0
R.C.Pasianot
2008/10/24
[SIESTA-L] Problem with vibra calculation
Arun Kumar Manna
2008/10/23
[SIESTA-L] I met this problem when compile parallel version of siesta-2.0
Jonathan.Li
2008/10/23
Re: [SIESTA-L] Structure of *.FC file
R.C.Pasianot
2008/10/23
Re: [SIESTA-L] Structure of *.FC file
apostnik
2008/10/23
[SIESTA-L] Structure of *.FC file
R.C.Pasianot
2008/10/22
Re: [SIESTA-L] Qtot convergence pb is back
R.C.Pasianot
2008/10/22
Re: [SIESTA-L] Qtot convergence pb is back
R.C.Pasianot
2008/10/22
Re: [SIESTA-L] Qtot convergence pb is back
Eduardo Anglada
2008/10/22
Re: [SIESTA-L] Qtot convergence pb is back
R.C.Pasianot
2008/10/22
Re: [SIESTA-L] band offset
Javier Junquera
2008/10/22
[SIESTA-L] Re : [SIESTA-L] ZnO modeling
cornil david
2008/10/21
Re: [SIESTA-L] ZnO modeling
Ravi Agrawal
2008/10/21
Re: [SIESTA-L] Error of SIESTA parallel compile
HeeSung Choi
2008/10/21
Re: [SIESTA-L] ZnO modeling
Marcos Verissimo Alves
2008/10/21
Re: [SIESTA-L] Error of SIESTA parallel compile
David Strubbe
2008/10/21
Re: [SIESTA-L] Error of SIESTA parallel compile
R.C.Pasianot
2008/10/21
Re: [SIESTA-L] Error of SIESTA parallel compile
HeeSung Choi
2008/10/21
Re: [SIESTA-L] Error of SIESTA parallel compile
R.C.Pasianot
2008/10/21
[SIESTA-L] Error of SIESTA parallel compile
HeeSung Choi
2008/10/21
Re: [SIESTA-L] ZnO modeling
R.C.Pasianot
2008/10/21
[SIESTA-L] ZnO modeling
Ravi Agrawal
2008/10/21
Re: [SIESTA-L] the normalization of the molecular orbitals
shanghui
2008/10/21
Re: [SIESTA-L] grid2cube error
Javad Hashemi
2008/10/20
Re: [SIESTA-L] Problem with optical calculation
Marty Blaber
2008/10/20
Re: [SIESTA-L] grid2cube error
Edan Scriven
2008/10/20
Re: [SIESTA-L] Problem with optical calculation
Marty Blaber
2008/10/20
[SIESTA-L] Problem with optical calculation
Arun Kumar Manna
2008/10/20
[SIESTA-L] grid2cube error
Javad Hashemi
2008/10/19
[SIESTA-L] PDOS error
John Appleton
2008/10/19
[SIESTA-L] the normalization of the molecular orbitals
shanghui
2008/10/17
Re: [SIESTA-L] Qtot convergence pb is back
R.C.Pasianot
2008/10/17
Re: [SIESTA-L] Compilation on WIndows
Oleksandr Voznyy
2008/10/17
[SIESTA-L] band offset
eb na
2008/10/17
Re: [SIESTA-L] Compilation on WIndows
Kyriakos Kachrimanis
2008/10/17
Re: [SIESTA-L] Compilation on WIndows
Vasilii Artyukhov
2008/10/17
[SIESTA-L] Compilation on WIndows
Thomas Sadowski
2008/10/17
Re: [SIESTA-L] Qtot convergence pb is back
R.C.Pasianot
2008/10/16
Re: [SIESTA-L] SIESTA parallel compile
Sushil Auluck
2008/10/16
Re: [SIESTA-L] compilance siesta parallel version
Sushil Auluck
2008/10/16
Re: [SIESTA-L] SIESTA parallel compile
R.C.Pasianot
2008/10/16
[SIESTA-L] SIESTA parallel compile
HeeSung Choi
2008/10/16
Re: [SIESTA-L] compilance siesta parallel version
HeeSung Choi
2008/10/16
[SIESTA-L] compilance siesta parallel version
HeeSung Choi
2008/10/16
Re: [SIESTA-L] compilance siesta parallel version
R C Pasianot
2008/10/16
Re: [SIESTA-L] Strange problem about denchar
Matheus Paes Lima
2008/10/15
[SIESTA-L] Strange problem about denchar
Yusia Rosee
2008/10/15
Re: [SIESTA-L] Pseudo_for_C
Alberto Garcia
2008/10/15
Re: [SIESTA-L] Pseudo_for_C
Eduardo Anglada
2008/10/15
[SIESTA-L] Pseudo_for_C
Alexandre Lebon
2008/10/15
[SIESTA-L] Qtot convergence pb is back
R.C.Pasianot
Earlier messages
Later messages