siesta-l
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2008/03/13
Re: [SIESTA-L] pseudo database; Zn configuration
Yurko Natanzon
2008/03/13
[SIESTA-L] pseudo database; Zn configuration
Andrei Postnikov
2008/03/13
Re: [SIESTA-L] Rejected postings
Eduardo Anglada
2008/03/13
Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases
chu-chun fu
2008/03/13
Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases
chu-chun fu
2008/03/12
Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases
Marcos Verissimo Alves
2008/03/12
[SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases
Eduardo Anglada
2008/03/12
Re: [SIESTA-L] ANNOUNCE: LDA & GGA pseudo databases
Riccardo Rurali
2008/03/11
Re: [SIESTA-L] pdos utility and data array full
Jianbao Wu
2008/03/11
Re: [SIESTA-L] Rejected postings
Yurko Natanzon
2008/03/11
[SIESTA-L] Rejected postings
R.C.Pasianot
2008/03/11
[SIESTA-L] Forces and free energy
R.C.Pasianot
2008/03/11
Re: [SIESTA-L] pdos utility and data array full
Hornos Tamás
2008/03/11
Re: [SIESTA-L] parallel siesta code
Kamaram Munira
2008/03/11
Re: [SIESTA-L] pdos utility and data array full
Hornos Tamás
2008/03/11
Re: [SIESTA-L] parallel siesta code
Eduardo Anglada
2008/03/11
Re: [SIESTA-L] pdos utility and data array full
Alexandre Lebon
2008/03/10
[SIESTA-L] compilation for siesta-1.3, need arch.make file
bipul rakshit
2008/03/10
[SIESTA-L] compilation for siesta-1.3
bipul rakshit
2008/03/10
[SIESTA-L] parallel siesta code
Kamaram Munira
2008/03/10
[SIESTA-L] parallel siesta code
Kamaram Munira
2008/03/10
Re: [SIESTA-L] pdos utility and data array full
Marcos Verissimo Alves
2008/03/10
[SIESTA-L] pdos utility and data array full
Alexandre Lebon
2008/03/10
Re: [SIESTA-L] problem about the polarized system!
Roberto Sapiens
2008/03/10
Re: [SIESTA-L] Elastic Constants
Michael Shin
2008/03/10
[SIESTA-L] compilation for siesta-1.3
bipul rakshit
2008/03/09
Re: [SIESTA-L] problem about the polarized system!
Jianbao Wu
2008/03/09
Re: [SIESTA-L] problem about the polarized system!
Roberto Sapiens
2008/03/09
[SIESTA-L] problem about the polarized system!
Jianbao Wu
2008/03/08
Re: [SIESTA-L] Problem with pdos utility...
Ricardo Faccio
2008/03/08
Re: [SIESTA-L] Problem with pdos utility...
Marcos Verissimo Alves
2008/03/08
[SIESTA-L] [Fwd: Re: [SIESTA-L] Problem with pdos utility...]
Marcos Verissimo Alves
2008/03/08
[SIESTA-L] How to plot bands and dos for the polarized system!
Jianbao Wu
2008/03/07
Re: [SIESTA-L] Problem with pdos utility...
David Strubbe
2008/03/07
[SIESTA-L] Problem with pdos utility...
Andres Aguado
2008/03/06
[SIESTA-L] New Group Homepage of Prof. Ke-Li Han in DICP
G. J. Zhao
2008/03/06
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/03/06
Re: [SIESTA-L] Simplex Optimization
Eduardo Anglada
2008/03/06
Re: [SIESTA-L] siesta.size file
Eduardo Anglada
2008/03/06
[SIESTA-L] siesta.size file
R.C.Pasianot
2008/03/06
Re: [SIESTA-L] DOS calculation from Systemlabel.EIG from EIG2DOS
Eduardo Anglada
2008/03/05
[SIESTA-L] Simplex Optimization
zubaer
2008/03/05
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/03/05
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/03/05
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/03/05
Re: [SIESTA-L] Parellelization overview
Oleksandr Voznyy
2008/03/05
Re: [SIESTA-L] dipole_in_SIESTA
Tomasz Kostyrko
2008/03/05
[SIESTA-L] dipole_in_SIESTA
cornil david
2008/03/05
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/03/04
[SIESTA-L] DOS calculation from Systemlabel.EIG from EIG2DOS
Kamaram Munira
2008/03/04
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/03/03
[SIESTA-L] Computational Physics Ph.D. studentship
Ilya Elfimov
2008/03/03
Re: [SIESTA-L] DSTEQR error
R.C.Pasianot
2008/03/02
Re: [SIESTA-L] NVT to NVE
P E LANDERVILLE III
2008/03/02
Re: [SIESTA-L] Stability of a structure
Simon Dubois
2008/03/01
[SIESTA-L] Stability of a structure
vikas thakur
2008/02/29
Re: [SIESTA-L] Parellelization overview
Yurko Natanzon
2008/02/29
Re: [SIESTA-L] Parellelization overview
R.C.Pasianot
2008/02/29
Re: [SIESTA-L] NVT to NVE
Eduardo Anglada
2008/02/29
Re: [SIESTA-L] GGA calculations and BSSE corrections
Eduardo Anglada
2008/02/29
Re: [SIESTA-L] Parellelization overview
Eduardo Anglada
2008/02/29
[SIESTA-L] Fwd: [SIESTA-L] LDA+U
Eduardo Anglada
2008/02/29
Re: [SIESTA-L] DSTEQR error
Eduardo Anglada
2008/02/29
Re: [SIESTA-L] bug in PDOS
Eduardo Anglada
2008/02/29
[SIESTA-L] LDA+U
bipul rakshit
2008/02/28
Re: [SIESTA-L] bug in PDOS
Yurko Natanzon
2008/02/28
[SIESTA-L] Spin-Polarized Pseudo for C
Simon Dubois
2008/02/27
[SIESTA-L] bug in PDOS
David Strubbe
2008/02/27
[SIESTA-L] NVT to NVE
P E LANDERVILLE III
2008/02/27
[SIESTA-L] DSTEQR error
R.C.Pasianot
2008/02/27
[SIESTA-L] GGA calculations and BSSE corrections
Roberto Sapiens
2008/02/27
Re: [SIESTA-L] How to store the basis
Eduardo Anglada
2008/02/27
[SIESTA-L] RE : [SIESTA-L] ChemicalPotential and zero neighbors for orbital
Dahbia Ammi
2008/02/27
Re: [SIESTA-L] How to store the basis
Yusia Rosee
2008/02/27
[SIESTA-L] RE : [SIESTA-L] ChemicalPotential and zero neighbors for orbital
Dahbia Ammi
2008/02/27
[SIESTA-L] ChemicalPotential and zero neighbors for orbital
Dahbia Ammi
2008/02/27
[SIESTA-L] Born charges for selected atoms
Natalia Martsinovich
2008/02/27
Re: [SIESTA-L] How to store the basis
Eduardo Anglada
2008/02/26
Re: [SIESTA-L] Surface buckling
Yong Liu
2008/02/26
[SIESTA-L] How to store the basis
Yusia Rosee
2008/02/26
[SIESTA-L] Surface buckling
John Appleton
2008/02/26
[SIESTA-L] ChemicalPotential and zero neighbors for orbital
Bartek Szyja
2008/02/25
Re: [SIESTA-L] Calculations with different isotopes
Marcos Verissimo Alves
2008/02/25
[SIESTA-L] Calculations with different isotopes
Derek A. Stewart
2008/02/21
Re: [SIESTA-L] equilibrium geometrie
Dahbia Ammi
2008/02/21
Re: [SIESTA-L] RE : Re: [SIESTA-L] equilibrium geometrie
Marcos Verissimo Alves
2008/02/21
Re: [SIESTA-L] equilibrium geometrie
Nabil BERKAINE
2008/02/21
[SIESTA-L] RE : Re: [SIESTA-L] equilibrium geometrie
Dahbia Ammi
2008/02/21
Re: [SIESTA-L] equilibrium geometrie
Adjaoud Omar
2008/02/21
[SIESTA-L] equilibrium geometrie
Dahbia Ammi
2008/02/21
[SIESTA-L] RE : Re: [SIESTA-L] equilibrium geometrie
Dahbia Ammi
2008/02/21
Re: [SIESTA-L] RE : Re: [SIESTA-L] equilibrium geometrie
N H
2008/02/21
Re: [SIESTA-L] equilibrium geometrie
Nabil BERKAINE
2008/02/21
Re: [SIESTA-L] RE : Re: [SIESTA-L] equilibrium geometrie
N H
2008/02/21
[SIESTA-L] Parellelization overview
R.C.Pasianot
2008/02/21
[SIESTA-L] RE : Re: [SIESTA-L] equilibrium geometrie
Dahbia Ammi
2008/02/21
Re: [SIESTA-L] equilibrium geometrie
N H
2008/02/21
[SIESTA-L] compilation
eb na
2008/02/21
[SIESTA-L] equilibrium geometrie
Dahbia Ammi
2008/02/20
[SIESTA-L] Fireball basis set
Kamaram Munira
2008/02/19
[SIESTA-L] Ge pseudo and basis
zubaer
2008/02/19
Re: [SIESTA-L] gnubands error
Ricardo Faccio
2008/02/19
Re: [SIESTA-L] compilation
Oleksandr Voznyy
2008/02/19
Re: [SIESTA-L] gnubands error
Mariusz Krawiec
2008/02/19
Re: [SIESTA-L] BSSE-corrected calculation of binding energy for chemisorption
Oleksandr Voznyy
2008/02/19
[SIESTA-L] gnubands error
Ricardo Faccio
2008/02/19
Re: [SIESTA-L] Failure to converge
Marcos Verissimo Alves
2008/02/19
Re: [SIESTA-L] Failure to converge
X. Feng
2008/02/19
Re: [SIESTA-L] Failure to converge
Emilio Artacho
2008/02/19
[SIESTA-L] Failure to converge
Marcos Verissimo Alves
2008/02/19
Re: [SIESTA-L] compilation
Marcos Verissimo Alves
2008/02/19
Re: [SIESTA-L] compilation
Eduardo Anglada
2008/02/19
[SIESTA-L] compilation
Alexandre Lebon
2008/02/17
[SIESTA-L] BSSE-corrected calculation of binding energy for chemisorption
Roberto Sapiens
2008/02/16
[SIESTA-L] Final energies
Marcel Mohr
2008/02/15
[SIESTA-L] question about Pseudopotential testing
bipul rakshit
2008/02/15
[SIESTA-L] calculation of rare-earth antimonide
bipul rakshit
2008/02/14
Re: [SIESTA-L] Binding energy O2 with GGA
Oleksandr Voznyy
2008/02/14
Re: [SIESTA-L] LDA and GGA pseudo
Marcos Verissimo Alves
2008/02/14
Re: [SIESTA-L] LDA and GGA pseudo
Abramov, Alexander V
2008/02/14
Re: [SIESTA-L] LDA and GGA pseudo
Roberto Sapiens
2008/02/14
Re: [SIESTA-L] LDA and GGA pseudo
Marcos Verissimo Alves
2008/02/14
[SIESTA-L] Dielectric function
Dahbia Ammi
2008/02/14
[SIESTA-L] LDA and GGA pseudo
cornil david
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Roberto Sapiens
2008/02/13
Re: [SIESTA-L] plotting LDOS
apostnik
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Oleksandr Voznyy
2008/02/13
Re: [SIESTA-L] plotting LDOS
reza behnam
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Abramov, Alexander V
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Yurko Natanzon
2008/02/13
Re: [SIESTA-L]
lan haiping
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
N H
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Riccardo Rurali
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Roberto Sapiens
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
N H
2008/02/13
[SIESTA-L] about phonon frequency
bipul rakshit
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Riccardo Rurali
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
Roberto Sapiens
2008/02/13
Re: [SIESTA-L] Binding energy O2 with GGA
N H
2008/02/13
[SIESTA-L] Binding energy O2 with GGA
Roberto Sapiens
2008/02/13
Re: [SIESTA-L] Hamiltonian Matrix format
Yurko Natanzon
2008/02/12
[SIESTA-L] Pseudopotential for N
Ghanshyam Pilania
2008/02/12
[SIESTA-L] Hamiltonian Matrix format
Thomas Sadowski
2008/02/12
Re: [SIESTA-L] Energyshift
Eduardo Anglada
2008/02/12
Re: [SIESTA-L] Energyshift
Simon Dubois
2008/02/12
Re: [SIESTA-L] distribution of cahrges
Eduardo Anglada
2008/02/12
[SIESTA-L] Energyshift
eb na
2008/02/12
[SIESTA-L] distribution of cahrges
Dahbia Ammi
2008/02/08
[SIESTA-L]
reza behnam
2008/02/08
[SIESTA-L] Invitation to join ASDN.NET - edicational web portal
Anatoli Korkin
2008/02/07
[SIESTA-L] RE : Re: [SIESTA-L] distribution of cahrges
Dahbia Ammi
2008/02/07
Re: [SIESTA-L] Cluster calculation
Vasilii Artyukhov
2008/02/07
Re: [SIESTA-L] Cluster calculation
Abraham Hmiel
2008/02/07
Re: [SIESTA-L] Cluster calculation
apostnik
2008/02/07
[SIESTA-L] Cluster calculation
Kamaram Munira
2008/02/06
Re: [SIESTA-L] distribution of cahrges
zubaer
2008/02/06
[SIESTA-L] distribution of cahrges
Dahbia Ammi
2008/02/06
Re: [SIESTA-L] HOMO_LUMO_levels
Oleksandr Voznyy
2008/02/06
Re: [SIESTA-L] HOMO_LUMO_levels
Riccardo Rurali
2008/02/06
[SIESTA-L] HOMO_LUMO_levels
cornil david
2008/02/04
Re: [SIESTA-L] Thick/thin slabs
Ian Shuttleworth
2008/02/03
Re: [SIESTA-L] Thick/thin slabs
Oleksandr Voznyy
2008/02/03
Re: [SIESTA-L] Thick/thin slabs
Tomasz Kostyrko
2008/02/03
[SIESTA-L] Thick/thin slabs
Ian Shuttleworth
2008/02/01
[SIESTA-L] IBM-Xlf parallel compilation problem
Min-Cheol Kim
2008/02/01
Re: [SIESTA-L] Error in compiling( libfdf.a module could not be located, perhaps)
Eduardo Anglada
2008/02/01
[SIESTA-L] Error in compiling( libfdf.a module could not be located, perhaps)
vikas sharma
2008/01/30
[SIESTA-L] Thanks for Re: [SIESTA-L] fixed atomic position while moving cellparameters
Alexandre Lebon
2008/01/30
Re: [SIESTA-L] fixed atomic position while moving cell parameters
Marcos Verissimo Alves
2008/01/30
Re: [SIESTA-L] fixed atomic position while moving cell parameters
Vasilii Artyukhov
2008/01/30
Re: [SIESTA-L] fixed atomic position while moving cell parameters
Konstantin Rushchanskii
2008/01/30
[SIESTA-L] fixed atomic position while moving cell parameters
Alexandre Lebon
2008/01/29
[SIESTA-L] Pseudopotential and basis for Pt, and Ir
Ali Jaafar
2008/01/28
[SIESTA-L] pp file for cobalt and W
reza behnam
2008/01/27
[SIESTA-L] RE : [SIESTA-L] Pseudo Potantial
karim rezouali
2008/01/26
[SIESTA-L] Pseudo Potantial
GOKHAN SURUCU
2008/01/26
Re: [SIESTA-L] Pseudopotential
GOKHAN SURUCU
2008/01/26
Re: [SIESTA-L] Pseudopotential
zubaer
2008/01/26
[SIESTA-L] Pseudopotential
karim rezouali
2008/01/25
[SIESTA-L] Reading HS file ( Hamitonian and Overlap matrices)
Luis Agapito
2008/01/25
Re: [SIESTA-L] Titanium dioxide nanotubes
Roberto Sapiens
2008/01/25
Re: [SIESTA-L] Titanium dioxide nanotubes
navaratnarajah kuganathan
2008/01/25
Re: [SIESTA-L] Titanium dioxide nanotubes
Roberto Sapiens
2008/01/25
[SIESTA-L] Titanium dioxide nanotubes
navaratnarajah kuganathan
2008/01/25
[SIESTA-L] Optimized parameters for Cd, Zn and S
vikas thakur
2008/01/25
[SIESTA-L] Instability in O(N) algoritm
Alexander Dub
2008/01/24
Re: [SIESTA-L] pseudopotential for Pt
Roberto Sapiens
2008/01/24
Re: [SIESTA-L] DZP basis for elements with semicore states
Andrei Postnikov
2008/01/24
Re: [SIESTA-L] pseudopotential for Pt
Bozidar
2008/01/24
Re: [SIESTA-L] DZP basis for elements with semicore states
X. Feng
2008/01/23
[SIESTA-L] pseudopotential for Pt
Mohammad khazaei
2008/01/23
Re: [SIESTA-L] DZP basis for elements with semicore states
X. Feng
2008/01/23
Re: [SIESTA-L] DZP basis for elements with semicore states
Andrei Postnikov
2008/01/23
Re: [SIESTA-L] DZP basis for elements with semicore states
Marcos Verissimo Alves
2008/01/23
Re: [SIESTA-L] DZP basis for elements with semicore states
X. Feng
2008/01/23
Re: [SIESTA-L] DZP basis for elements with semicore states
Marcos Verissimo Alves
2008/01/23
[SIESTA-L] A Negative Electron Affinity !
Michel Sassi
2008/01/23
[SIESTA-L] DZP basis for elements with semicore states
X. Feng
2008/01/22
[SIESTA-L] Interatomic distance and pseudopotential cutoff
zubaer
2008/01/22
Re: [SIESTA-L] optimized babsis for Au?
Oleksandr Voznyy
Earlier messages
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