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Re: [SIESTA-L] problem in FERMID
Stefano Sanvito
Re: [SIESTA-L] problem in FERMID
asa aravindh
[SIESTA-L] empty cube file for the top valence band
Hegoi Manzano Moro
[SIESTA-L] ZMAT relaxation
Simon Dubois
Re: [SIESTA-L] ZMAT relaxation
Simon Dubois
Re: [SIESTA-L] ZMAT relaxation
Simon Dubois
[SIESTA-L] username-password
Alexandre Lebon
Re: [SIESTA-L] username-password
vikas thakur
[SIESTA-L] [siesta]Handling the unformatted MD file for velocity-autocorrelation analysis
Mina Park
[SIESTA-L] simulated STM images (not LDOS)
Руслан Жачук
Re: [SIESTA-L] simulated STM images (not LDOS)
Oleksandr Voznyy
[SIESTA-L] crystal energy calculation
Sarah Lebedev
[SIESTA-L] Fwd: crystal energy calculation
Sarah Lebedev
Re: [SIESTA-L] Fwd: crystal energy calculation
R.C.Pasianot
Re: [SIESTA-L] Fwd: crystal energy calculation
Sarah Lebedev
Re: [SIESTA-L] Fwd: crystal energy calculation
R.C.Pasianot
Re: [SIESTA-L] Fwd: crystal energy calculation
Oleksandr Voznyy
Re: [SIESTA-L] Fwd: crystal energy calculation
Sarah Lebedev
Re: [SIESTA-L] Fwd: crystal energy calculation
R.C.Pasianot
[SIESTA-L] how to read .pdos
pei zhao
[SIESTA-L] Polarization grid
catrina desport
[SIESTA-L] Bad precision of DRho after SCF loop
Yoshi Takimoto
[SIESTA-L] using siesta's parallel FFT3D routine to perform 1D FFT
Yoshi Takimoto
[SIESTA-L] Alternative of Mulliken Population analysis
Arun Kumar Manna
[SIESTA-L] regarding magnetic moment again
asa aravindh
[SIESTA-L] softconfinement in PAO
bipul rakshit
Re: [SIESTA-L] regarding magnetic moment
apostnik
[SIESTA-L] Piesoelectric coefficient
hiva m
[SIESTA-L] piezoelectric-polarization grid
hiva m
[SIESTA-L] Br Pseudopotential
Edgar Martinez Guerra
[SIESTA-L] Optimum load balancing !!
Ravi Agrawal
Re: [SIESTA-L] Optimum load balancing !!
Oleksandr Voznyy
Re: [SIESTA-L] Optimum load balancing !!
Nichols A. Romero
Re: [SIESTA-L] Optimum load balancing !!
Ravi Agrawal
Re: [SIESTA-L] Optimum load balancing !!
Oleksandr Voznyy
[SIESTA-L] Nuclear Laplacian
Silvio a Beccara
[SIESTA-L] Very slow convergence of SCF cycle
Gregory Geneste
Re: [SIESTA-L] Very slow convergence of SCF cycle
David Strubbe
[SIESTA-L] W pseudopotential
Arun Kumar Manna
[SIESTA-L] siesta download
Sridhar Neelamraju
[SIESTA-L] YbH3 in fcc phase
Subhra Kulshrestha
[SIESTA-L] Spin-polarized band structure
Juliana Morbec
Re: [SIESTA-L] Spin-polarized band structure
Roberto Veiga
[SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Juliana Morbec
Re: [SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Ricardo Faccio
[SIESTA-L] Res: [SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Juliana Morbec
[SIESTA-L] Accurate Si surface formation energy
Руслан Жачук
[SIESTA-L] WFS File
P E LANDERVILLE III
Re: [SIESTA-L] WFS File
Abraham Hmiel
Re: [SIESTA-L] WFS File
P E LANDERVILLE III
Re: [SIESTA-L] WFS File
Marcel Mohr
[SIESTA-L] screened-exchange pseudopotential
Julie Smart
[SIESTA-L] arch.make
Hana Milani
Re: [SIESTA-L] arch.make
Bharat
Re: [SIESTA-L] arch.make
Hana Milani
[SIESTA-L] SCF convergence and PAO.Energyshift
Min Cheol Kim
Re: [SIESTA-L] SCF convergence and PAO.Energyshift
apostnik
[SIESTA-L] Small BSSE in SIESTA?
Nguyen Ngoc Ha
[SIESTA-L] pseudo generating
Julie Smart
[SIESTA-L] example run gives segmentation fault at particular point
ambavale sagar
[SIESTA-L] problem in Born charge calculation
bipul rakshit
[SIESTA-L] Dissociation energy calculation
Roberto Veiga
Re: [SIESTA-L] Dissociation energy calculation
Danil Bukhvalov
[SIESTA-L] Hess's law
Roberto Veiga
Re: [SIESTA-L] Hess's law
N H
Re: [SIESTA-L] Hess's law
Roberto Veiga
Re: [SIESTA-L] Hess's law
N H
Re: [SIESTA-L] Hess's law
Roberto Veiga
[SIESTA-L] Post-Doc position in Lyon: theoretical heterogeneous catalysis
Paul Fleurat-Lessard
[SIESTA-L] Segmentation fault for parallel version
Abram Van Der Geest
[SIESTA-L] About LO-TO splitting
bipul rakshit
[SIESTA-L] pseudo plot
Julie Smart
Re: [SIESTA-L] pseudo plot
Marcos Verissimo Alves
Re: [SIESTA-L] pseudo plot
Julie Smart
Re: [SIESTA-L] pseudo plot
Marcos Verissimo Alves
[SIESTA-L] BornCharge, PolarizationGrid, Parallel
Lydia Nemec
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Martsinovich, Natalia
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Miguel
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Lydia Nemec
Re: [SIESTA-L] BornCharge, PolarizationGrid, Parallel
Miguel
[SIESTA-L] problem in nodes in parallel run
Hana Milani
Re: [SIESTA-L] problem in nodes in parallel run
Nguyen Ngoc Ha
[SIESTA-L] Transition bands
Dahbia Ammi
Re: [SIESTA-L] Transition bands
Marty Blaber
[SIESTA-L] Ba, Zr , Sr and Rh pseudo
madani samah
[SIESTA-L] Strange SIESTA-bug in atomic forces
Lydia Nemec
Re: [SIESTA-L] Strange SIESTA-bug in atomic forces
David Strubbe
[SIESTA-L] Raman peak
Rose Mary
[SIESTA-L] electric field theory
catrina desport
Re: [SIESTA-L] electric field theory
David Strubbe
[SIESTA-L] charged graphene
A.H.N
[SIESTA-L] siesta error for optical calculation
Ricardo Faccio
[SIESTA-L] siesta error for optical calculation
karim rezouali
Re: [SIESTA-L] siesta error for optical calculation
Ricardo Faccio
[SIESTA-L] Occupation optimisation
Silvio a Beccara
[SIESTA-L] restricted geometry optimizatio
Luis Alberto
Re: [SIESTA-L] restricted geometry optimizatio
Marcos Verissimo Alves
[SIESTA-L] JDOS
Rose Mary
[SIESTA-L] graphical software
Rose Mary
Re: [SIESTA-L] graphical software
Zeila Zanolli
[SIESTA-L] problem with XCrysDen & XFS files!
A.H.N
Re: [SIESTA-L] problem with XCrysDen & XFS files!
Nguyen Ngoc Ha
Re: [SIESTA-L] problem with XCrysDen & XFS files!
Lamjed debbichi
Re: [SIESTA-L] problem with XCrysDen & XFS files!
apostnik
[SIESTA-L] passivation unconverged
catrina desport
Re: [SIESTA-L] passivation unconverged
Danil Boukhvalov
Re: [SIESTA-L] passivation unconverged
catrina desport
Re: [SIESTA-L] passivation unconverged
Ravi Agrawal
[SIESTA-L] basis of Na and S
bipul rakshit
[SIESTA-L] Adding Solvation Effect in SIESTA
Min Cheol Kim
[SIESTA-L] problem with pdosxml
catrina desport
[SIESTA-L] Error in compiling SIESTA
Amirhasan Nourbakhsh
Re: [SIESTA-L] Error in compiling SIESTA
lan haiping
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Error in compiling SIESTA
Sushil Auluck
[SIESTA-L] Confusion in optical calculation
Arun Kumar Manna
Re: [SIESTA-L] Confusion in optical calculation
Sushil Auluck
[SIESTA-L] How to plot the charge density of HOMO and LUMO
寇良志
[SIESTA-L] H-passivation
catrina desport
Re: [SIESTA-L] H-passivation
Руслан Жачук
[SIESTA-L] Download?
Silvio a Beccara
Re: [SIESTA-L] Download?
Pablo Ordejon
Re: [SIESTA-L] SIESTA on LInux-problem
Michael Shin
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] SIESTA on LInux-problem
Sushil Auluck
[SIESTA-L] Downloading SIESTA?
Silvio a Beccara
[SIESTA-L] Error on OrderN method
Charles Chen
[SIESTA-L] Posible SPAM: real part of dielectric function
Julie Smart
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Posible SPAM: real part of dielectric function
Sushil Auluck
[SIESTA-L] charged supercell in bulk materials
Gregory Geneste
Re: [SIESTA-L] charged supercell in bulk materials
Riccardo Rurali
[SIESTA-L] bug report on ATOM code
Zhanyu Ning
[SIESTA-L] MPI compilation troubles during Itanium cluster compilation
Pavel B Sorokin
[SIESTA-L] Jonathan Li wants to chat
Jonathan Li
[SIESTA-L] Phonons with Siesta
Lydia Nemec
Re: [SIESTA-L] Phonons with Siesta
R.C.Pasianot
Re: [SIESTA-L] Phonons with Siesta
Derek A. Stewart
[SIESTA-L] a question!
A.H.Nourbakhsh
Re: [SIESTA-L] a question!
Javad Hashemi
[SIESTA-L] Optical theory
Julie Smart
Re: [SIESTA-L] Optical theory
Marty Blaber
[SIESTA-L] chempot: ERROR: zero neighbors for orbital 20
Charles Chen
[SIESTA-L] correct optical calculation
Julie Smart
Re: [SIESTA-L] correct optical calculation
Marty Blaber
Re: [SIESTA-L] correct optical calculation
Julie Smart
Re: [SIESTA-L] correct optical calculation
Marty Blaber
Re: [SIESTA-L] correct optical calculation
Julie Smart
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] correct optical calculation
Sushil Auluck
[SIESTA-L] ./optical <e2.dat
catrina desport
Re: [SIESTA-L] ./optical <e2.dat
Marty Blaber
Re: [SIESTA-L] ./optical <e2.dat
catrina desport
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Sushil Auluck
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
catrina desport
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Marty Blaber
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Marty Blaber
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] ./optical <e2.dat
Sushil Auluck
[SIESTA-L] E option in PAO.Basis
Charles Chen
[SIESTA-L] Question about polarization
Ravi Agrawal
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Question about polarization
Sushil Auluck
Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Question about polarization
Ravi Agrawal
Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L]Question about polarization
Sushil Auluck
[SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Xavier Cartoixa Soler
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Garcia-Suarez, Victor
Re: [SIESTA-L] Still energy differences and BSSE corrections
Oleksandr Voznyy
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Garcia-Suarez, Victor
Re: [SIESTA-L] Still energy differences and BSSE corrections
Roberto Veiga
Re: [SIESTA-L] Still energy differences and BSSE corrections
Garcia-Suarez, Victor
[SIESTA-L] gen-basis usage error
Charles Chen
Re: [SIESTA-L] gen-basis usage error
Alexandre Lebon
[SIESTA-L] crazy SCF loop
Gregory Geneste
Re: [SIESTA-L] crazy SCF loop
Marcos Verissimo Alves
Re: [SIESTA-L] crazy SCF loop
Gregory Geneste
Re: [SIESTA-L] crazy SCF loop
Marcos Verissimo Alves
Re: [SIESTA-L] crazy SCF loop
Marcos Verissimo Alves
Re: [SIESTA-L] crazy SCF loop
Gregory Geneste
[SIESTA-L] Ti and O Psp in optimize TiO2 anatase
Charles Chen
[SIESTA-L] SIESTA user on BlueGene-P systems
Ravi Agrawal
[SIESTA-L] Error to compile SIESTA on parallel version
Peyman Amiri
[SIESTA-L] PAO.EnergyShift convergence problem
Руслан Жачук
Re: [SIESTA-L] PAO.EnergyShift convergence problem
apostnik
Re: [SIESTA-L] PAO.EnergyShift convergence problem
Руслан Жачук
[SIESTA-L] Charge initialization
Marcos Verissimo Alves
Re: [SIESTA-L] PAO.EnergyShift convergence problem
apostnik
[SIESTA-L] Really need help on input.f
Hana Milani
[SIESTA-L] dielectric function
Hana Milani
[SIESTA-L] Re : [SIESTA-L] dielectric function
Dahbia Ammi
[SIESTA-L] density
Juliana Morbec
[SIESTA-L] PAO.BasisSizes problem
Руслан Жачук
[SIESTA-L] Re : [SIESTA-L] PAO.BasisSizes problem
cornil david
[SIESTA-L] URGENT (supercell for bulk)
catrina desport
Re: [SIESTA-L] URGENT (supercell for bulk)
apostnik
Re: [SIESTA-L] URGENT (supercell for bulk)
catrina desport
Earlier messages
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