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[SIESTA-L] How to add nonlinear external potential to Siesta calculation
Jingbin Li
[SIESTA-L] Electron occupancies in SIESTA
Salvador Barraza-Lopez
Re: [SIESTA-L] Electron occupancies in SIESTA
Nichols A. Romero
[SIESTA-L] phonon frequency in Vibra
bipul rakshit
[SIESTA-L] PAO.Basis for Cu(111)
reza behnam
[SIESTA-L] SIESTA convergency problem
Abramov, Alexander V
[SIESTA-L] Neptinium(Np)
GOKHAN SURUCU
[SIESTA-L] HS matrix.
Kamaram Munira
Re: [SIESTA-L] HS matrix.
박준호
[SIESTA-L] Example fdf file for bulk hcp structure calculation
Kamaram Munira
Re: [SIESTA-L] Example fdf file for bulk hcp structure calculation
Giacomo Giorgi
Re: [SIESTA-L] Example fdf file for bulk hcp structurecalculation
Kamaram Munira
Re: [SIESTA-L] Example fdf file for bulk hcp structurecalculation
Engin Deligoz
[SIESTA-L] Pseudopotantial Np
GOKHAN SURUCU
[SIESTA-L] How to plus a diffuse 3s orbit for the valence electrons.
Zhu Xi
[SIESTA-L] pseudopotential for Ga and As
Cherry Y. Yates
Re: [SIESTA-L] pseudopotential for Ga and As
lan haiping
Re: [SIESTA-L] Errors due to Cr pseudopotential
Semichaevsky, Andrey
Fwd: [SIESTA-L] Errors due to Cr pseudopotential
Alberto Garcia
[SIESTA-L] Need help with H and Si Basis sets for nanowire
Abraham Hmiel
Re: [SIESTA-L] Need help with H and Si Basis sets for nanowire
Oleksandr Voznyy
Re: [SIESTA-L] Need help with H and Si Basis sets for nanowire
N H
[SIESTA-L] how to see the plots of generated psuedopotentials
vikas sharma
Re: [SIESTA-L] how to see the plots of generated psuedopotentials
vikas thakur
[SIESTA-L] Problem FixSpin
Eliseo Ruiz
Re: [SIESTA-L] Problem FixSpin
Andrei Postnikov
Re: [SIESTA-L] Problem FixSpin
Marcos Verissimo Alves
Re: [SIESTA-L] Problem FixSpin
Vasilii Artyukhov
Re: [SIESTA-L] Problem FixSpin
Andrei Postnikov
Re: [SIESTA-L] Problem FixSpin
Marcos Verissimo Alves
Re: [SIESTA-L] Problem FixSpin
apostnik
[SIESTA-L] Optical calculation
vikas thakur
Re: [SIESTA-L] Optical calculation
Engin Deligoz
[SIESTA-L] Pseudopotential testing
Ian Shuttleworth
Re: [SIESTA-L] Pseudopotential testing
Demetra Psiachos
Re: [SIESTA-L] Pseudopotential testing
Salvador Barraza-Lopez
[SIESTA-L] problems compiling siesta-2.0 IBM p575
Jacques Plevert
Re: [SIESTA-L] problems compiling siesta-2.0 IBM p575
Jyh-Shyong
[SIESTA-L] PP for Co and W
reza behnam
Re: [SIESTA-L] PP for Co and W
???
[SIESTA-L] Ti Pseudopotential
M.Sairam Swaroop
Re: [SIESTA-L] Ti Pseudopotential
lan haiping
Re: [SIESTA-L] Ti Pseudopotential
Hui Tang
Re: [SIESTA-L] Ti Pseudopotential
lan haiping
Re: [SIESTA-L] Ti Pseudopotential
Zeila Zanolli
[SIESTA-L] question about source code in subroutine phiatm() in atmfuncs.f
Jingbin Li
[SIESTA-L] Energy Band Gap
vikas thakur
Re: [SIESTA-L] Energy Band Gap
Marcos Verissimo Alves
Re: [SIESTA-L] Energy Band Gap
杨福华
Re: [SIESTA-L] Energy Band Gap
Marcos Verissimo Alves
Re: [SIESTA-L] Energy Band Gap
杨福华
Re: [SIESTA-L] Energy Band Gap
vikas thakur
Re: [SIESTA-L] Energy Band Gap
Oleksandr Voznyy
[SIESTA-L] psf and input file for Co and W atoms
reza behnam
[SIESTA-L] FLAGS for compiling Apostnikov *.f files
zubaer
[SIESTA-L] pseudopotential for gold (Au)
Cherry Y. Yates
Re: [SIESTA-L] pseudopotential for gold (Au)
Varadharajan Srinivasan
Re: [SIESTA-L] pseudopotential for gold (Au)
Cherry Y. Yates
[SIESTA-L] Convergence in surfaces
N H
Re: [SIESTA-L] Convergence in surfaces
Yong Liu
[SIESTA-L] soft confinement
Heribert Reis
[SIESTA-L] How to choose right parameters for generating pseudopotentials?
X. Feng
Re: [SIESTA-L] soft confinement
Oleksandr Voznyy
[SIESTA-L] PDOS file
Salvador Barraza-Lopez
Re: [SIESTA-L] PDOS file
Marcos Verissimo Alves
Re: [SIESTA-L] PDOS file
David Strubbe
Re: [SIESTA-L] PDOS file
Marcos Verissimo Alves
[SIESTA-L] Rare-gaz pseudo
cornil david
Re: [SIESTA-L] Rare-gaz pseudo
vikas thakur
[SIESTA-L] Influence of basis set
Marcos Verissimo Alves
Re: [SIESTA-L] Influence of basis set
Oleksandr Voznyy
Re: [SIESTA-L] Influence of basis set
Marcos Verissimo Alves
Re: [SIESTA-L] Influence of basis set
N H
Re: [SIESTA-L] Influence of basis set
Oleksandr Voznyy
[SIESTA-L] DENCHAR - Sorry
Thomas Sadowski
[SIESTA-L] Denchar Compilation
Thomas Sadowski
[SIESTA-L] denchar compilation
Oleksandr Voznyy
[SIESTA-L] A magnetic structure going nonmagnetic
Vasilii Artyukhov
Re: [SIESTA-L] A magnetic structure going nonmagnetic
Gul Rahman
Re: [SIESTA-L] A magnetic structure going nonmagnetic
Marcos Verissimo Alves
Re: [SIESTA-L] A magnetic structure going nonmagnetic
Vasilii Artyukhov
[SIESTA-L] U pseudo
Carlos
Re: [SIESTA-L] U pseudo
Marcos Verissimo Alves
Re: [SIESTA-L] U pseudo
Carlos Pinilla
Re: [SIESTA-L] U pseudo
Marcos Verissimo Alves
[SIESTA-L] Atomic forces
Ian Shuttleworth
Re: [SIESTA-L] Atomic forces
vikas thakur
Re: [SIESTA-L] Atomic forces
vikas thakur
Re: [SIESTA-L] Atomic forces
zubaer
Re: [SIESTA-L] Atomic forces
vikas thakur
[SIESTA-L] rho2xsf
apostnik
Re: [SIESTA-L] Atomic forces
Oleksandr Voznyy
Re: [SIESTA-L] Atomic forces
zubaer
Re: [SIESTA-L] Atomic forces
Oleksandr Voznyy
Re: [SIESTA-L] Atomic forces
zubaer
Re: [SIESTA-L] Atomic forces
Oleksandr Voznyy
Re: [SIESTA-L] Atomic forces
Simon Dubois
Re: [SIESTA-L] Atomic forces
vikas thakur
Re: [SIESTA-L] Atomic forces
vikas thakur
Re: [SIESTA-L] Atomic forces
Simon Dubois
Re: [SIESTA-L] Atomic forces
vikas thakur
Re: [SIESTA-L] Atomic forces
Oleksandr Voznyy
Re: [SIESTA-L] Atomic forces
vikas thakur
[SIESTA-L] Molecular Dynamics In siesta
M.Sairam Swaroop
Re: [SIESTA-L] Molecular Dynamics In siesta
Andrei Postnikov
[SIESTA-L] Charged System
navaratnarajah kuganathan
[SIESTA-L]
Marcel Mohr
[SIESTA-L] Problem with optical properties
N H
Re: [SIESTA-L] Problem with optical properties
Yurko Natanzon
Re: [SIESTA-L] Problem with optical properties
N H
[SIESTA-L] The unit in Siesta
Jingbin Li
Re: [SIESTA-L] The unit in Siesta
N H
Re: [SIESTA-L] The unit in Siesta
N H
[SIESTA-L] Harris energy
Ian Shuttleworth
[SIESTA-L] Au pseudo and basis
Luis Agapito
[SIESTA-L] Pseudopotential for Uranium
Carlos
[SIESTA-L] UseStructFile
bipul rakshit
Re: [SIESTA-L] UseStructFile
Yurko Natanzon
[SIESTA-L] all electron calculation of Y atom
vikas sharma
[SIESTA-L] all electron calculation of Y atom
vikas sharma
[SIESTA-L] error in reading .xsf
vikas thakur
Re: [SIESTA-L] error in reading .xsf
apostnik
[SIESTA-L] Pseudopotential
John Appleton
Re: [SIESTA-L] Pseudopotential
vikas thakur
[SIESTA-L] Pseudopotential
karim rezouali
Re: [SIESTA-L] Pseudopotential
zubaer
Re: [SIESTA-L] Pseudopotential
GOKHAN SURUCU
[SIESTA-L] Pseudopotential
navaratnarajah kuganathan
Re: [SIESTA-L] Pseudopotential
hui shang
[SIESTA-L] parallel over orbitals
Mariusz Krawiec
Re: [SIESTA-L] parallel over orbitals
Oleksandr Voznyy
Re: [SIESTA-L] parallel over orbitals
Mariusz Krawiec
[SIESTA-L] Error on runing SIESTA in diferente machines
N H
[SIESTA-L] total energy
zubaer
[SIESTA-L] point charges
renhui zheng
[SIESTA-L] Relaxation
John Appleton
Re: [SIESTA-L] Relaxation
Oleksandr Voznyy
[SIESTA-L] Co pseudopotentials
寇良志
[SIESTA-L] atomic and molecular energies
John Appleton
Re: [SIESTA-L] atomic and molecular energies
Marcos Verissimo Alves
[SIESTA-L] Number of integration points
Nancy Sandler
[SIESTA-L] RE : [SIESTA-L] Number of integration points
Belabbas Imad
Re: [SIESTA-L] RE : [SIESTA-L] Number of integration points
Nancy Sandler
Re: [SIESTA-L] RE : [SIESTA-L] Number of integration points
Oleksandr Voznyy
[SIESTA-L] electron density
vikas thakur
Re: [SIESTA-L] electron density
Simon Dubois
Re: [SIESTA-L] electron density
vikas thakur
[SIESTA-L] PAO.Basis Rule of Thumb
Thomas Sadowski
Re: [SIESTA-L] PAO.Basis Rule of Thumb
Oleksandr Voznyy
Re: [SIESTA-L] PAO.Basis Rule of Thumb
Marcos Verissimo Alves
[SIESTA-L] different Fermi energies for two leads and small difference in Hartree Potentials
X. Feng
[SIESTA-L] Principal number channels on atom utility
Salvador Barraza-Lopez
Re: [SIESTA-L] Principal number channels on atom utility
Oleksandr Voznyy
Re: [SIESTA-L] Principal number channels on atom utility
Nichols A. Romero
[SIESTA-L] Lattice relaxation and band structure calculations for In2O3
Semichaevsky, Andrey
Re: [SIESTA-L] Lattice relaxation and band structure calculations for In2O3
Vasilii Artyukhov
Re: [SIESTA-L] Lattice relaxation and band structure calculations for In2O3
Semichaevsky, Andrey
Re: [SIESTA-L] Lattice relaxation and band structure calculations for In2O3
Yurko Natanzon
Re: [SIESTA-L] Number of valence bands
Semichaevsky, Andrey
Re: [SIESTA-L] Number of valence bands
Konstantin Rushchanskii
Re: [SIESTA-L] Number of valence bands
Semichaevsky, Andrey
Re: [SIESTA-L] Number of valence bands
Vasilii Artyukhov
Re: [SIESTA-L] Lattice relaxation and band structure calculationsfor In2O3
Marcel Mohr
[SIESTA-L] How to generate pesudopotential on 3D rectangular mesh points from SIESTA
Jingbin Li
[SIESTA-L] Parallel SIESTA for intel core-2 quad processor with MKL lib
Shi, Ning
[SIESTA-L] Sulfur pseudopotential
Giacomo Giorgi
Re: [SIESTA-L] Sulfur pseudopotential
Oleksandr Voznyy
[SIESTA-L] How to set PAO.Basis of Sn?
庞学永
[SIESTA-L] How to set PAO.Basis of Sn?
庞学永
[SIESTA-L] Error runing Siesta on a Core 2 DUO Quad with MPICH2
Rodrigo Z. Armond
[SIESTA-L] Cl and Br pseudo potentials
navaratnarajah kuganathan
[SIESTA-L] Zn pseudo potential!
N H
Re: [SIESTA-L] Zn pseudo potential!
Giacomo Giorgi
[SIESTA-L] Oxygen (triplet)
Roberto Veiga
Re: [SIESTA-L] Oxygen (triplet)
Eduardo Anglada
[SIESTA-L] ATOM: can you test a certain vps file using atom?
박준호
[SIESTA-L] Posible SPAM: About pair distribution function
Dai Jun
Re: [SIESTA-L] Posible SPAM: About pair distribution function
Eduardo Anglada
Re: [SIESTA-L] Posible SPAM: About pair distribution function
N H
Re: [SIESTA-L] Posible SPAM: About pair distribution function
Dai Jun
[SIESTA-L] How to visualize mesh points and potential on the mesh?
Jingbin Li
Re: [SIESTA-L] How to visualize mesh points and potential on the mesh?
Eduardo Anglada
[SIESTA-L] How to calculate band-structure in SIESTA
Hui Tang
Re: [SIESTA-L] How to calculate band-structure in SIESTA
Eduardo Anglada
[SIESTA-L] Fwd: [SIESTA-L] Running Error
Eduardo Anglada
[SIESTA-L] Voigt notation in total stress tensor
Konstantin Rushchanskii
[SIESTA-L] for designing ps?
박준호
[SIESTA-L] How to define a ion?
Edgar Martinez Guerra
[SIESTA-L] How to define a ion?
Eduardo Anglada
[SIESTA-L] restart of phonon cal.
bipul rakshit
Re: [SIESTA-L] restart of phonon cal.
Leandro de Andrade Silva
Re: [SIESTA-L] restart of phonon cal.
Marcel Mohr
Re: [SIESTA-L] OrderN and k-sampling
Jesús Marquina
[SIESTA-L] OrderN and k-sampling
jesus marquina
Re: [SIESTA-L] OrderN and k-sampling
Vasilii Artyukhov
[SIESTA-L] Magnetic structure relaxation
Ivetta Slipukhina
Re: [SIESTA-L] Magnetic structure relaxation
Marcos Verissimo Alves
Re: [SIESTA-L] Magnetic structure relaxation
Simon Dubois
[SIESTA-L] Parallelization flags
Vasilii Artyukhov
[SIESTA-L] optical matrix
Cherry Y. Yates
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