Messages by Date
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2009/02/13
[SIESTA-L] .sot extention
Julie Smart
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2009/02/13
Re: [SIESTA-L] ForceTol for each atom
pei zhao
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2009/02/13
Re: [SIESTA-L] ForceTol for each atom
Ulrich Biedermann
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2009/02/13
Re: [SIESTA-L] xyz format input problem
Sridhar Neelamraju
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2009/02/13
Re: [SIESTA-L] xyz format input problem
Javad Hashemi
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2009/02/13
Re: [SIESTA-L] xyz format input problem
Ramiro Cardona Cardona
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2009/02/13
Re: [SIESTA-L] xyz format input problem
R.C.Pasianot
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2009/02/13
[SIESTA-L] xyz format input problem
Sridhar Neelamraju
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2009/02/13
Re: [SIESTA-L] Fwd: crystal energy calculation
R.C.Pasianot
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2009/02/13
Re: [SIESTA-L] Fwd: crystal energy calculation
Sarah Lebedev
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2009/02/13
[SIESTA-L] Projected density of states
bipul rakshit
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2009/02/13
Re: [SIESTA-L] k-point shift
apostnik
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2009/02/12
Re: [SIESTA-L] Fwd: crystal energy calculation
Oleksandr Voznyy
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2009/02/12
[SIESTA-L] ForceTol for each atom
pei zhao
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2009/02/12
Re: [SIESTA-L] Fwd: crystal energy calculation
R.C.Pasianot
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2009/02/12
[SIESTA-L] k-point shift
Alexandre Lebon
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2009/02/12
[SIESTA-L] compiling Siesta
Helio Anderson Duarte
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2009/02/12
Re: [SIESTA-L] Fwd: crystal energy calculation
Sarah Lebedev
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2009/02/12
Re: [SIESTA-L] Fwd: crystal energy calculation
R.C.Pasianot
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2009/02/12
[SIESTA-L] Fwd: crystal energy calculation
Sarah Lebedev
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2009/02/12
Re: [SIESTA-L] problem in FERMID
asa aravindh
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2009/02/11
[SIESTA-L] Compiling the program
Helio Anderson Duarte
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2009/02/11
[SIESTA-L] Gradient and laplacian with respect to basis functions coefficients
Silvio a Beccara
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2009/02/11
Re: [SIESTA-L] problem in FERMID
Stefano Sanvito
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2009/02/11
Re: [SIESTA-L] problem in FERMID
asa aravindh
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2009/02/10
Re: [SIESTA-L] problem in FERMID
Pablo Ordejón Rontomé
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2009/02/10
[SIESTA-L] problem in FERMID
asa aravindh
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2009/02/10
Re: [SIESTA-L] ZMAT relaxation
Simon Dubois
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2009/02/10
[SIESTA-L] empty cube file for the top valence band
Hegoi Manzano Moro
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2009/02/10
Re: [SIESTA-L] ZMAT relaxation
Simon Dubois
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2009/02/10
[SIESTA-L] ZMAT relaxation
Simon Dubois
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2009/02/09
Re: [SIESTA-L] username-password
vikas thakur
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2009/02/09
[SIESTA-L] username-password
Alexandre Lebon
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2009/02/09
[SIESTA-L] [siesta]Handling the unformatted MD file for velocity-autocorrelation analysis
Mina Park
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2009/02/08
Re: [SIESTA-L] simulated STM images (not LDOS)
Oleksandr Voznyy
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2009/02/08
[SIESTA-L] simulated STM images (not LDOS)
Руслан Жачук
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2009/02/07
[SIESTA-L] crystal energy calculation
Sarah Lebedev
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2009/02/06
[SIESTA-L] how to read .pdos
pei zhao
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2009/02/05
[SIESTA-L] Polarization grid
catrina desport
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2009/02/05
[SIESTA-L] Bad precision of DRho after SCF loop
Yoshi Takimoto
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2009/02/04
[SIESTA-L] using siesta's parallel FFT3D routine to perform 1D FFT
Yoshi Takimoto
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2009/02/04
[SIESTA-L] Alternative of Mulliken Population analysis
Arun Kumar Manna
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2009/02/04
[SIESTA-L] regarding magnetic moment again
asa aravindh
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2009/02/04
[SIESTA-L] softconfinement in PAO
bipul rakshit
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2009/02/03
[SIESTA-L] YbH3 in fcc phase
Subhra Kulshrestha
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2009/02/03
Re: [SIESTA-L] regarding magnetic moment
apostnik
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2009/02/02
[SIESTA-L] Piesoelectric coefficient
hiva m
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2009/02/02
[SIESTA-L] piezoelectric-polarization grid
hiva m
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2009/02/02
Re: [SIESTA-L] magnetic moment
apostnik
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2009/02/02
[SIESTA-L] magnetic moment
asa aravindh
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2009/01/28
Re: [SIESTA-L] Optimum load balancing !!
Oleksandr Voznyy
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2009/01/28
[SIESTA-L] Br Pseudopotential
Edgar Martinez Guerra
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2009/01/28
Re: [SIESTA-L] Optimum load balancing !!
Ravi Agrawal
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2009/01/28
Re: [SIESTA-L] Optimum load balancing !!
Nichols A. Romero
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2009/01/28
Re: [SIESTA-L] Optimum load balancing !!
Oleksandr Voznyy
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2009/01/28
[SIESTA-L] Optimum load balancing !!
Ravi Agrawal
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2009/01/28
[SIESTA-L] Nuclear Laplacian
Silvio a Beccara
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2009/01/28
Re: [SIESTA-L] Very slow convergence of SCF cycle
David Strubbe
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2009/01/27
[SIESTA-L] Very slow convergence of SCF cycle
Gregory Geneste
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2009/01/27
[SIESTA-L] W pseudopotential
Arun Kumar Manna
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2009/01/27
[SIESTA-L] siesta download
Sridhar Neelamraju
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2009/01/26
Re: [SIESTA-L] PDOS
Oleksandr Voznyy
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2009/01/26
Re: [SIESTA-L] PDOS
Ian Shuttleworth
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2009/01/25
Re: [SIESTA-L] PDOS
Nguyen Ngoc Ha
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2009/01/25
[SIESTA-L] Res: [SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Juliana Morbec
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2009/01/25
Re: [SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Ricardo Faccio
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2009/01/25
[SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Juliana Morbec
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2009/01/25
Re: [SIESTA-L] Spin-polarized band structure
Roberto Veiga
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2009/01/24
[SIESTA-L] Spin-polarized band structure
Juliana Morbec
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2009/01/24
[SIESTA-L] Accurate Si surface formation energy
Руслан Жачук
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2009/01/23
Re: [SIESTA-L] WFS File
Marcel Mohr
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2009/01/23
Re: [SIESTA-L] WFS File
P E LANDERVILLE III
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2009/01/23
Re: [SIESTA-L] WFS File
Abraham Hmiel
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2009/01/23
[SIESTA-L] WFS File
P E LANDERVILLE III
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2009/01/23
[SIESTA-L] screened-exchange pseudopotential
Julie Smart
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2009/01/23
Re: [SIESTA-L] SCF convergence and PAO.Energyshift
apostnik
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2009/01/23
Re: [SIESTA-L] arch.make
Hana Milani
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2009/01/22
Re: [SIESTA-L] arch.make
Bharat
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2009/01/22
[SIESTA-L] arch.make
Hana Milani
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2009/01/22
[SIESTA-L] SCF convergence and PAO.Energyshift
Min Cheol Kim
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2009/01/22
[SIESTA-L] Small BSSE in SIESTA?
Nguyen Ngoc Ha
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2009/01/20
[SIESTA-L] pseudo generating
Julie Smart
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2009/01/19
[SIESTA-L] example run gives segmentation fault at particular point
ambavale sagar
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2009/01/18
[SIESTA-L] problem in Born charge calculation
bipul rakshit
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2009/01/17
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Miguel
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2009/01/16
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Lydia Nemec
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2009/01/16
Re: [SIESTA-L] Hess's law
Roberto Veiga
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2009/01/16
Re: [SIESTA-L] Hess's law
N H
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2009/01/16
Re: [SIESTA-L] Hess's law
Roberto Veiga
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2009/01/16
Re: [SIESTA-L] Hess's law
N H
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2009/01/16
[SIESTA-L] Hess's law
Roberto Veiga
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2009/01/16
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Miguel
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2009/01/16
Re: [SIESTA-L] Dissociation energy calculation
Danil Bukhvalov
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2009/01/16
[SIESTA-L] Dissociation energy calculation
Roberto Veiga
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2009/01/16
Re: [SIESTA-L] pseudo plot
Marcos Verissimo Alves
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2009/01/16
Re: [SIESTA-L] pseudo plot
Julie Smart
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2009/01/15
Re: [SIESTA-L] pseudo plot
Marcos Verissimo Alves
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2009/01/15
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Martsinovich, Natalia
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2009/01/15
[SIESTA-L] Post-Doc position in Lyon: theoretical heterogeneous catalysis
Paul Fleurat-Lessard
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2009/01/15
[SIESTA-L] Segmentation fault for parallel version
Abram Van Der Geest
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2009/01/15
[SIESTA-L] About LO-TO splitting
bipul rakshit
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2009/01/15
[SIESTA-L] pseudo plot
Julie Smart
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2009/01/15
[SIESTA-L] BornCharge, PolarizationGrid, Parallel
Lydia Nemec
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2009/01/14
Re: [SIESTA-L] problem in nodes in parallel run
Nguyen Ngoc Ha
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2009/01/13
[SIESTA-L] problem in nodes in parallel run
Hana Milani
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2009/01/12
Re: [SIESTA-L] Transition bands
Marty Blaber
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2009/01/12
[SIESTA-L] Transition bands
Dahbia Ammi
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2009/01/12
[SIESTA-L] Ba, Zr , Sr and Rh pseudo
madani samah
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2009/01/11
Re: [SIESTA-L] Strange SIESTA-bug in atomic forces
David Strubbe
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2009/01/11
Re: [SIESTA-L] electric field theory
David Strubbe
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2009/01/11
[SIESTA-L] Strange SIESTA-bug in atomic forces
Lydia Nemec
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2009/01/11
[SIESTA-L] Raman peak
Rose Mary
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2009/01/11
Re: [SIESTA-L] siesta error for optical calculation
Ricardo Faccio
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2009/01/11
[SIESTA-L] electric field theory
catrina desport
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2009/01/11
[SIESTA-L] charged graphene
A.H.N
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2009/01/10
[SIESTA-L] siesta error for optical calculation
karim rezouali
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2009/01/10
[SIESTA-L] siesta error for optical calculation
Ricardo Faccio
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2009/01/10
Re: [SIESTA-L] restricted geometry optimizatio
Marcos Verissimo Alves
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2009/01/09
[SIESTA-L] restricted geometry optimizatio
Luis Alberto
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2009/01/08
[SIESTA-L] Occupation optimisation
Silvio a Beccara
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2009/01/08
[SIESTA-L] JDOS
Rose Mary
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2009/01/08
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
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2009/01/08
Re: [SIESTA-L] Still energy differences and BSSE corrections
Garcia-Suarez, Victor
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2009/01/08
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
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2009/01/08
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
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2009/01/08
Re: [SIESTA-L] Still energy differences and BSSE corrections
Garcia-Suarez, Victor
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2009/01/07
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
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2009/01/07
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
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2009/01/07
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
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2009/01/07
Re: [SIESTA-L] Still energy differences and BSSE corrections
Garcia-Suarez, Victor
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2009/01/07
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
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2009/01/07
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
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2009/01/06
Re: [SIESTA-L] graphical software
Zeila Zanolli
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2009/01/05
[SIESTA-L] graphical software
Rose Mary
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2009/01/03
Re: [SIESTA-L] problem with XCrysDen & XFS files!
apostnik
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2009/01/02
Re: [SIESTA-L] problem with XCrysDen & XFS files!
Lamjed debbichi
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2009/01/02
Re: [SIESTA-L] problem with XCrysDen & XFS files!
Nguyen Ngoc Ha
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2009/01/02
Re: [SIESTA-L] passivation unconverged
Ravi Agrawal
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2009/01/02
[SIESTA-L] problem with XCrysDen & XFS files!
A.H.N
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2009/01/01
Re: [SIESTA-L] passivation unconverged
catrina desport
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2009/01/01
Re: [SIESTA-L] passivation unconverged
Danil Boukhvalov
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2009/01/01
[SIESTA-L] passivation unconverged
catrina desport
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2008/12/29
[SIESTA-L] basis of Na and S
bipul rakshit
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2008/12/29
[SIESTA-L] Adding Solvation Effect in SIESTA
Min Cheol Kim
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2008/12/28
[SIESTA-L] problem with pdosxml
catrina desport
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2008/12/26
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Error in compiling SIESTA
Sushil Auluck
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2008/12/26
Re: [SIESTA-L] Error in compiling SIESTA
lan haiping
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2008/12/26
[SIESTA-L] Error in compiling SIESTA
Amirhasan Nourbakhsh
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2008/12/26
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] SIESTA on LInux-problem
Sushil Auluck
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2008/12/26
Re: [SIESTA-L] Confusion in optical calculation
Sushil Auluck
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2008/12/26
Re: [SIESTA-L] SIESTA on LInux-problem
Michael Shin
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2008/12/25
[SIESTA-L] Confusion in optical calculation
Arun Kumar Manna
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2008/12/23
[SIESTA-L] How to plot the charge density of HOMO and LUMO
寇良志
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2008/12/23
Re: [SIESTA-L] Download?
Pablo Ordejon
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2008/12/23
Re: [SIESTA-L] H-passivation
Руслан Жачук
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2008/12/23
[SIESTA-L] H-passivation
catrina desport
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2008/12/23
[SIESTA-L] Download?
Silvio a Beccara
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2008/12/18
[SIESTA-L] Downloading SIESTA?
Silvio a Beccara
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2008/12/17
[SIESTA-L] Error on OrderN method
Charles Chen
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2008/12/16
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Sushil Auluck
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2008/12/16
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Posible SPAM: real part of dielectric function
Sushil Auluck
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2008/12/16
[SIESTA-L] Posible SPAM: real part of dielectric function
Julie Smart
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2008/12/15
[SIESTA-L] bug report on ATOM code
Zhanyu Ning
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2008/12/15
Re: [SIESTA-L] charged supercell in bulk materials
Riccardo Rurali
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2008/12/14
Re: [SIESTA-L] Optical theory
Marty Blaber
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2008/12/14
[SIESTA-L] Error in Cholesky factorisation in cdiag
Bohdan Andriyevskyy
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2008/12/14
[SIESTA-L] charged supercell in bulk materials
Gregory Geneste
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2008/12/13
[SIESTA-L] MPI compilation troubles during Itanium cluster compilation
Pavel B Sorokin
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2008/12/13
[SIESTA-L] Jonathan Li wants to chat
Jonathan Li
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2008/12/12
Re: [SIESTA-L] Phonons with Siesta
Derek A. Stewart
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2008/12/12
Re: [SIESTA-L] Phonons with Siesta
R.C.Pasianot
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2008/12/12
[SIESTA-L] Phonons with Siesta
Lydia Nemec
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2008/12/12
Re: [SIESTA-L] a question!
Javad Hashemi
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2008/12/12
[SIESTA-L] a question!
A.H.Nourbakhsh
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2008/12/11
[SIESTA-L] Optical theory
Julie Smart
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2008/12/11
[SIESTA-L] chempot: ERROR: zero neighbors for orbital 20
Charles Chen
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2008/12/11
Re: [SIESTA-L] crazy SCF loop
Gregory Geneste
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2008/12/09
Re: [SIESTA-L] crazy SCF loop
Marcos Verissimo Alves
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2008/12/09
Re: [SIESTA-L] crazy SCF loop
Marcos Verissimo Alves
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2008/12/09
Re: [SIESTA-L] crazy SCF loop
Gregory Geneste
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2008/12/08
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] correct optical calculation
Sushil Auluck
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2008/12/08
Re: [SIESTA-L] correct optical calculation
Julie Smart
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2008/12/08
Re: [SIESTA-L] correct optical calculation
Marty Blaber
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L]Question about polarization
Sushil Auluck
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Sushil Auluck
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Marty Blaber
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2008/12/07
Re: [SIESTA-L] correct optical calculation
Julie Smart
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Marty Blaber
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2008/12/07
Re: [SIESTA-L] correct optical calculation
Marty Blaber
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Question about polarization
Ravi Agrawal
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2008/12/07
[SIESTA-L] correct optical calculation
Julie Smart
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
catrina desport
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2008/12/07
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Sushil Auluck
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2008/12/07
Re: [SIESTA-L] ./optical <e2.dat
catrina desport
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2008/12/06
Re: [SIESTA-L] ./optical <e2.dat
Marty Blaber
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2008/12/06
[SIESTA-L] ./optical <e2.dat
catrina desport
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2008/12/06
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
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2008/12/06
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
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2008/12/05
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Question about polarization
Sushil Auluck
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2008/12/05
[SIESTA-L] E option in PAO.Basis
Charles Chen