siesta-l
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2007/04/16
[SIESTA-L] MOLEKEL
Bozidar
2007/04/16
[SIESTA-L]
madani samah
2007/04/15
Re: [SIESTA-L] Slab shear
Marcos Verissimo Alves
2007/04/15
[SIESTA-L] Slab shear
Ian Shuttleworth
2007/04/13
Re: [SIESTA-L] MPI interface
Vasilii Artyukhov
2007/04/13
Re: [SIESTA-L] MPI interface
bipul rakshit
2007/04/13
[SIESTA-L] MPI interface
Vasilii Artyukhov
2007/04/13
Re: [SIESTA-L] NonCollinear-Magnetism
Gul Rahman
2007/04/12
[SIESTA-L] symmetry
Anders Odell
2007/04/12
Re: [SIESTA-L] implementation question about MeshCutoff
Eduardo Anglada
2007/04/11
Re: [SIESTA-L] How to fix some of the atoms while doing relaxation
Rainer Hoft
2007/04/11
[SIESTA-L] implementation question about MeshCutoff
Nichols A. Romero
2007/04/11
Re: [SIESTA-L] How to fix some of the atoms while doing relaxation
Marcos Verissimo Alves
2007/04/11
Re: [SIESTA-L] How to fix some of the atoms while doing relaxation
Yurko Natanzon
2007/04/11
[SIESTA-L] How to fix some of the atoms while doing relaxation
Clutch Q. J. Fan
2007/04/11
Re: [SIESTA-L] About workfunction
Javier Junquera
2007/04/10
Re: [SIESTA-L] Compilation error, How to start siesta programming
Eduardo Anglada
2007/04/10
Re: [SIESTA-L] Geo-Optimization
Eduardo Anglada
2007/04/09
Re: [SIESTA-L] About workfunction
Rainer Hoft
2007/04/09
Re: [SIESTA-L] optimization of the lattice constant of GaN:Wurtzitestructure
Adam Gali
2007/04/09
[SIESTA-L] optimization of the lattice constant of GaN:Wurtzite structure
Mu J. Helien
2007/04/09
Re: [SIESTA-L] About workfunction
Marcos Verissimo Alves
2007/04/09
[SIESTA-L] About workfunction
Septhiroth Lo
2007/04/08
Re: [SIESTA-L] phonon calculation problem
Vasilii Artyukhov
2007/04/07
[SIESTA-L] Hello!
luckstar05
2007/04/06
[SIESTA-L] Compilation error, How to start siesta programming
murali krishna
2007/04/06
[SIESTA-L] phonon calculation problem
bipul rakshit
2007/04/05
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Mu J. Helien
2007/04/05
Re: [SIESTA-L] formation energy
Saswata Bhattacharya
2007/04/05
Re: [SIESTA-L] kgrid_cutoff
Vasilii Artyukhov
2007/04/05
[SIESTA-L] phonon calculation problem
bipul rakshit
2007/04/05
Re: [SIESTA-L] formation energy
Bozidar
2007/04/04
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Marcos Verissimo Alves
2007/04/04
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Mu J. Helien
2007/04/04
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Marcos Verissimo Alves
2007/04/04
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Mu J. Helien
2007/04/04
[SIESTA-L] kgrid_cutoff
bipul rakshit
2007/04/04
[SIESTA-L] kgrid_cutoff
bipul rakshit
2007/04/04
[SIESTA-L] formation energy
Saswata Bhattacharya
2007/04/04
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Marcos Verissimo Alves
2007/04/04
Re: [SIESTA-L] why so big force on the atoms :((
Wang kunpeng
2007/04/03
[SIESTA-L] Compilation error and how to start siesta programming
murali krishna
2007/04/03
Re: [SIESTA-L] why so big force on the atoms :((
Nichols A. Romero
2007/04/03
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Matheus Paes Lima
2007/04/03
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Mu J. Helien
2007/04/03
[SIESTA-L] why so big force on the atoms :((
Wang kunpeng
2007/04/03
Re: [SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Oleksandr Voznyy
2007/04/03
[SIESTA-L] the pseudopotential of Ga and N for GaN bulk
Mu J. Helien
2007/04/03
Re: [SIESTA-L] xmgrace
Yurko Natanzon
2007/04/02
[SIESTA-L] Geo-Optimization
Neil Dixon
2007/04/02
Re: [SIESTA-L] xmgrace
Nikolaos Beglitis
2007/04/02
Re: [SIESTA-L] xmgrace
apostnik
2007/04/02
[SIESTA-L] xmgrace
mian shabbir
2007/04/02
Re: [SIESTA-L] How to compile siesta on linux systems
Vasilii Artyukhov
2007/04/02
[SIESTA-L] How to compile siesta on linux systems
murali krishna
2007/04/02
Re: [SIESTA-L] Amorphous silica
Benoit Magali
2007/04/02
[SIESTA-L] Amorphous silica
Giacomo Giorgi
2007/04/01
Re: [SIESTA-L] can SIESTA do LDA+U
Gul Rahman
2007/04/01
[SIESTA-L] can SIESTA do LDA+U
Xi Zhu
2007/04/01
[SIESTA-L] shabbir
mian shabbir
2007/03/30
Re: [SIESTA-L] Restrict geometry optimization
Pablo Aguado
2007/03/30
Re: [SIESTA-L] Restrict geometry optimization
Yurko Natanzon
2007/03/30
Re: [SIESTA-L] Ni and Co Pseudopotential
Dongwook Kim
2007/03/30
Re: [SIESTA-L] Restrict geometry optimization
Pablo Aguado
2007/03/30
Re: [SIESTA-L] Restrict geometry optimization
Yurko Natanzon
2007/03/30
Re: [SIESTA-L] Restrict geometry optimization
Pablo Aguado
2007/03/30
[SIESTA-L] -ve frequencies in phonon calculation
bipul rakshit
2007/03/29
[SIESTA-L] grid2cube
Saswata Bhattacharya
2007/03/29
Re: [SIESTA-L] Restrict geometry optimization
Yong Liu
2007/03/29
Re: [SIESTA-L] Na pseudopotential
Nichols A. Romero
2007/03/29
Re: [SIESTA-L] how to exactly restart a SIESTA
Wang kunpeng
2007/03/29
Re: [SIESTA-L] Restrict geometry optimization
Adam Gali
2007/03/29
Re: [SIESTA-L] Na pseudopotential
Mu J. Helien
2007/03/29
Re: [SIESTA-L] Na pseudopotential
Marcos Verissimo Alves
2007/03/29
Re: [SIESTA-L] Convergence of parameters !!!
Marcos Verissimo Alves
2007/03/29
[SIESTA-L] Na pseudopotential
Mu J. Helien
2007/03/29
Re: [SIESTA-L] how to exactly restart a SIESTA
bipul rakshit
2007/03/29
Re: [SIESTA-L] how to exactly restart a SIESTA
Wang kunpeng
2007/03/29
Re: [SIESTA-L] how to exactly restart a SIESTA
bipul rakshit
2007/03/29
[SIESTA-L] how to exactly restart a SIESTA
Wang kunpeng
2007/03/28
Re: [SIESTA-L] Convergence of parameters !!!
Yong Liu
2007/03/28
[SIESTA-L] Convergence of parameters !!!
Ashok Arya
2007/03/28
Re: [SIESTA-L] force and energy optimization
Andrei Postnikov
2007/03/28
[SIESTA-L] force and energy optimization
Saswata Bhattacharya
2007/03/28
Re: [SIESTA-L] generation of Psedupotential files
Marcos Verissimo Alves
2007/03/28
[SIESTA-L] generation of Psedupotential files
agri chemist
2007/03/28
Re: [SIESTA-L] PtN in pyrite calculation
Engin Deligoz
2007/03/28
Re: [SIESTA-L] PtN in pyrite calculation
Marcos Verissimo Alves
2007/03/28
Re: [SIESTA-L] how to calculate the values of strain tensor from forces or stress tensor?
Yurko Natanzon
2007/03/28
[SIESTA-L] PtN in pyrite calculation
bipul rakshit
2007/03/27
[SIESTA-L] Ni and Co Pseudopotential
Woo Youn Kim
2007/03/27
Re: [SIESTA-L] Restrict geometry optimization
Rainer Hoft
2007/03/27
Re: [SIESTA-L] gnubands
Yurko Natanzon
2007/03/27
[SIESTA-L] gnubands
Saswata Bhattacharya
2007/03/27
Re: [SIESTA-L] FDF howto's
Emilio Artacho
2007/03/27
[SIESTA-L] FDF howto's
Vasilii Artyukhov
2007/03/27
Re: [SIESTA-L] how to calculate the values of strain tensor from forces or stress tensor?
Vasilii Artyukhov
2007/03/27
Re: [SIESTA-L] PS and Basis of Vanadium
Michael Shin
2007/03/27
Re: [SIESTA-L] Restrict geometry optimization
Yong Liu
2007/03/27
Re: [SIESTA-L] Restrict geometry optimization
Yong Liu
2007/03/27
Re: [SIESTA-L] Restrict geometry optimization
Adam Gali
2007/03/27
Re: [SIESTA-L] Restrict geometry optimization
Yurko Natanzon
2007/03/27
[SIESTA-L] Restrict geometry optimization
Yong Liu
2007/03/27
[SIESTA-L] how to calculate the values of strain tensor from forces or stress tensor?
Yurko Natanzon
2007/03/27
[SIESTA-L] Error in Cholesky factorisation in cdiag
A SEN
2007/03/26
Re: [SIESTA-L] problem of compiling parallel siesta with mpich-ifc
小龙邹
2007/03/26
Re: [SIESTA-L] Periodicity
Marcos Verissimo Alves
2007/03/26
Re: [SIESTA-L] problem of compiling parallel siesta with mpich-ifc
Marcos Verissimo Alves
2007/03/26
Re: [SIESTA-L] Relativistic
ang leesin
2007/03/26
Re: [SIESTA-L] Rho-problem
Michael Shin
2007/03/26
Re: [SIESTA-L] Relativistic
Vasilii Artyukhov
2007/03/26
[SIESTA-L] problem while compliing vibra on parallel IBM machine
bipul rakshit
2007/03/26
Re: [SIESTA-L] Rho-problem
apostnik
2007/03/26
Re: [SIESTA-L] Problem with gen-basis
Lazaro Calderin
2007/03/26
Re: [SIESTA-L] Rho-problem
Michael Shin
2007/03/26
[SIESTA-L] Relativistic
ang leesin
2007/03/26
Re: [SIESTA-L] Problem with gen-basis
Lazaro Calderin
2007/03/24
Re: [SIESTA-L] Diag.ParallelOverK
Yurko Natanzon
2007/03/24
Re: [SIESTA-L] Problem with gen-basis
Demetra Psiachos
2007/03/24
[SIESTA-L] Problem with gen-basis
Lazaro Calderin
2007/03/23
[SIESTA-L] problem of compiling parallel siesta with mpich-ifc
小龙邹
2007/03/23
Re: [SIESTA-L] Periodicity
Ian Shuttleworth
2007/03/23
Re: [SIESTA-L] Diag.ParallelOverK
Oleksandr Voznyy
2007/03/23
Re: [SIESTA-L] Periodicity
Marcos Verissimo Alves
2007/03/23
Re: [SIESTA-L] SPAM : Re: [SIESTA-L] SPAM : Re: [SIESTA-L] Diag.ParallelOverK
Emilio Artacho
2007/03/23
Re: [SIESTA-L] SPAM : Re: [SIESTA-L] Diag.ParallelOverK
Yurko Natanzon
2007/03/23
[SIESTA-L] Periodicity
Ian Shuttleworth
2007/03/23
[SIESTA-L] Tr : [SIESTA-L] user guide
cornil david
2007/03/22
[SIESTA-L] user guide
agri chemist
2007/03/22
Re: [SIESTA-L] SPAM : Re: [SIESTA-L] Diag.ParallelOverK
Emilio Artacho
2007/03/22
[SIESTA-L] vibra problem
bipul rakshit
2007/03/22
Re: [SIESTA-L] Density Matrix
Simon Dubois
2007/03/22
Re: [SIESTA-L] Density Matrix
Hongjun Xiang
2007/03/22
Re: [SIESTA-L] Diag.ParallelOverK
Yurko Natanzon
2007/03/22
[SIESTA-L] Diag.ParallelOverK
bipul rakshit
2007/03/21
[SIESTA-L] Density Matrix
Simon Dubois
2007/03/21
Re: [SIESTA-L] introduction
Yurko Natanzon
2007/03/21
Re: [SIESTA-L] introduction
Javier Junquera
2007/03/21
[SIESTA-L] introduction
agri chemist
2007/03/21
Re: [SIESTA-L] SiH SiH Broyden examples
Ian Shuttleworth
2007/03/21
[SIESTA-L] SiH SiH Broyden examples
Ian Shuttleworth
2007/03/20
Re: [SIESTA-L] zeta exponents
Demetra Psiachos
2007/03/20
Re: [SIESTA-L] zeta exponents
Oleksandr Voznyy
2007/03/20
Re: [SIESTA-L] zeta exponents
Marcos Verissimo Alves
2007/03/20
[SIESTA-L] zeta exponents
Maria Fyta
2007/03/20
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Marcos Verissimo Alves
2007/03/20
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Oleksandr Voznyy
2007/03/20
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Chun Li
2007/03/20
Re: [SIESTA-L] [Fwd: Re: [SIESTA-L] Convergence of the parameters in SIESTA]
Pablo Aguado
2007/03/20
Re: [SIESTA-L] memory problem
Vasilii Artyukhov
2007/03/20
[SIESTA-L] optimised basis set with siesta
bipul rakshit
2007/03/19
Re: [SIESTA-L] [Fwd: Re: [SIESTA-L] Convergence of the parameters in SIESTA]
Yong Liu
2007/03/19
[SIESTA-L] [Fwd: Re: [SIESTA-L] Convergence of the parameters in SIESTA]
Marcos Verissimo Alves
2007/03/19
[SIESTA-L] Convergence of the parameters in SIESTA
Yong Liu
2007/03/19
Re: [SIESTA-L] memory problem
Marcel Mohr
2007/03/19
Re: [SIESTA-L] memory problem
Eduardo Anglada
2007/03/19
[SIESTA-L] memory problem
Saswata Bhattacharya
2007/03/19
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Vasilii Artyukhov
2007/03/19
[SIESTA-L] Posible SPAM: elastic constant calculations
Chun Li
2007/03/19
Re: [SIESTA-L] Visualization
Chun Li
2007/03/19
Re: [SIESTA-L] Visualization
Andrei Postnikov
2007/03/18
[SIESTA-L] Visualization
Saswata Bhattacharya
2007/03/17
Re: [SIESTA-L] Nanotube and its image
Marcel Mohr
2007/03/17
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Marcos Verissimo Alves
2007/03/16
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Zeila Zanolli
2007/03/16
Re: [SIESTA-L] Nanotube and its image
Michael Shin
2007/03/16
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Vasilii Artyukhov
2007/03/16
Re: [SIESTA-L] problem parallel installation in AIX machine
Ricardo Faccio
2007/03/16
[SIESTA-L] Error in Cholesky factorisation in cdiag
Zeila Zanolli
2007/03/16
[SIESTA-L] Partial core correction; also Simplex
Vasilii Artyukhov
2007/03/16
[SIESTA-L] problem parallel installation in AIX machine
bipul rakshit
2007/03/15
[SIESTA-L] integration of grid property over a "MT sphere"
Andrei Postnikov
2007/03/15
Re: [SIESTA-L] printing Fermi energy
Marcos Verissimo Alves
2007/03/15
[SIESTA-L] Co-oedinate
Saswata Bhattacharya
2007/03/15
[SIESTA-L] printing Fermi energy
Mousumi Upadhyay Kahaly
2007/03/15
[SIESTA-L] printing Fermi energy
Mousumi Upadhyay Kahaly
2007/03/14
[SIESTA-L] Mulliken population analysis
Edgar Martinez Guerra
2007/03/14
[SIESTA-L] gen basis script
bipul rakshit
2007/03/13
Re: [SIESTA-L] how to increase accuracy of bulk modulus calculations?
Nichols A. Romero
2007/03/13
Re: [SIESTA-L] Problem using latest mkl
Sergey Lisenkov
2007/03/13
[SIESTA-L] compilation of parallel siesta problem
bipul rakshit
2007/03/13
[SIESTA-L] compilation of parallel siesta problem
bipul rakshit
2007/03/13
Re: [SIESTA-L] Problem using latest mkl
Marcos Verissimo Alves
2007/03/13
[SIESTA-L] Problem using latest mkl
Marcos Verissimo Alves
2007/03/12
[SIESTA-L] siesta-2.0 in aix ibm machine
bipul rakshit
2007/03/09
Re: [SIESTA-L] Cu slab
Ian Shuttleworth
2007/03/09
Re: [SIESTA-L] Cu slab
Giacomo Giorgi
2007/03/09
Re: [SIESTA-L] Cu slab
Renato B. Pontes
2007/03/09
Re: [SIESTA-L] Cu slab
Yurko Natanzon
2007/03/09
[SIESTA-L] scalapack lib for aix machines
bipul rakshit
2007/03/09
[SIESTA-L] Cu slab
Ian Shuttleworth
2007/03/08
[SIESTA-L]
atom4078
2007/03/08
[SIESTA-L] message
atom4078
2007/03/08
[SIESTA-L] metal surface
atom4078
2007/03/08
Re: [SIESTA-L] Format of .XV file
You Lin
2007/03/08
Re: [SIESTA-L] how to increase accuracy of bulk modulus calculations?
Yurko Natanzon
2007/03/08
Re: [SIESTA-L] Format of .XV file
Eduardo Anglada
2007/03/08
[SIESTA-L] Format of .XV file
You Lin
2007/03/08
Re: [SIESTA-L] how to increase accuracy of bulk modulus calculations?
Vasilii Artyukhov
2007/03/08
Re: [SIESTA-L] Results differ in this and previous version of siesta
Alberto Garcia
Earlier messages
Later messages