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[SIESTA-L] Defining periodic structure
Harsh Shah
Re: [SIESTA-L] Defining periodic structure
Nick Papior
Re: [SIESTA-L] Defining periodic structure
Mostafa Shabani
[SIESTA-L] Molecular Adsorption on Material Surfaces
Rishi Sreedhar
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Lukas Deuchler
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Rishi Sreedhar
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Lukas Deuchler
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Rishi Sreedhar
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Matías Soto C .
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Matías Soto C .
Re: [SIESTA-L] Molecular Adsorption on Material Surfaces
Rishi Sreedhar
[SIESTA-L] ballistic transport
Zara Nosh
Re: [SIESTA-L] ballistic transport
fomin
[SIESTA-L] HOW TO APPLY GATE VOLTAGE?
南京理工大学__孙玉
Re: [SIESTA-L] HOW TO APPLY GATE VOLTAGE?
Nick Papior
Re:[SIESTA-L] HOW TO APPLY GATE VOLTAGE?
南京理工大学__孙玉
Re: [SIESTA-L] HOW TO APPLY GATE VOLTAGE?
Nick Papior
Re:[SIESTA-L] HOW TO APPLY GATE VOLTAGE?
南京理工大学__孙玉
Re: [SIESTA-L] HOW TO APPLY GATE VOLTAGE?
Leonardo Fonseca
Re: [SIESTA-L] HOW TO APPLY GATE VOLTAGE?
Leonardo Fonseca
[SIESTA-L] error in transiesta running
Farzaneh Farzadi
Re: [SIESTA-L] slow performance of TBTrans software in workstation with gcc compiler
Ankita Joshi
Re: [SIESTA-L] slow performance of TBTrans software in workstation with gcc compiler
Nick Papior
Re: [SIESTA-L] error in transiesta running
Nick Papior
Re: [SIESTA-L] error in transiesta running
Esmaeil Farajpour Bonab
Re: [SIESTA-L] error in transiesta running
Farzaneh Farzadi
Re: [SIESTA-L] error in transiesta running
Nick Papior
[SIESTA-L] << Intel vs AMD >>
I. Camps
Re: [SIESTA-L] << Intel vs AMD >>
Nick Papior
Re: [SIESTA-L] << Intel vs AMD >>
I. Camps
[SIESTA-L] << Big system with SIESTA >>
I. Camps
Re: [SIESTA-L] << Big system with SIESTA >>
Nick Papior
[SIESTA-L] Bond current
Zara Nosh
Re: [SIESTA-L] Problem restarting transiesta job
Ankita Joshi
Re: [SIESTA-L] Problem restarting transiesta job
Nick Papior
[SIESTA-L] SCAN+rvv10 functional
Antonio Cammarata
[SIESTA-L] Seeking your kind help to solve errors in Transiesta run
Bibhas Manna
Re: [SIESTA-L] Seeking your kind help to solve errors in Transiesta run
Leonardo Fonseca
Re: [SIESTA-L] Seeking your kind help to solve errors in Transiesta run
Bibhas Manna
Re: [SIESTA-L] Seeking your kind help to solve errors in Transiesta run
Esmaeil Farajpour Bonab
[SIESTA-L] Denchar with SIESTA 4.1-b1
cornil david
[SIESTA-L] Problem in compiling siesta 4.1-b3 (with parallel processes)
Bibhas Manna
Re: [SIESTA-L] Problem in compiling siesta 4.1-b3 (with parallel processes)
Nick Papior
[SIESTA-L] potential barrier
Zara Nosh
Re: [SIESTA-L] potential barrier
Leonardo Fonseca
Re: [SIESTA-L] potential barrier
Javier Junquera
Re: [SIESTA-L] potential barrier
Zara Nosh
[SIESTA-L] Few doubts in I-V calculation using TBTrans
Bibhas Manna
Re: [SIESTA-L] Few doubts in I-V calculation using TBTrans
Nick Papior
[SIESTA-L] transmission pathway
Zara Nosh
Re: [SIESTA-L] transmission pathway
Zara Nosh
[SIESTA-L] current- voltage curve
Farzaneh Farzadi
[SIESTA-L] Fwd: current- voltage curve
Farzaneh Farzadi
Re: [SIESTA-L] current- voltage curve
Nick Papior
Re: [SIESTA-L] current- voltage curve
Farzaneh Farzadi
Re: [SIESTA-L] current- voltage curve
Nick Papior
Re: [SIESTA-L] current- voltage curve
Farzaneh Farzadi
[SIESTA-L] Seeking your kind help in execution of TBTrans
Bibhas Manna
Re: [SIESTA-L] Seeking your kind help in execution of TBTrans
Nick Papior
[SIESTA-L] Problem in installing Transisesta
Bibhas Manna
Re: [SIESTA-L] Problem in installing Transisesta
Nick Papior
Re: [SIESTA-L] Problem in installing Transisesta
Bibhas Manna
[SIESTA-L] Mulliken Charges on Water
Dan Gil
Re: [SIESTA-L] Mulliken Charges on Water
Xiaozhou Shen
Re: [SIESTA-L] Mulliken Charges on Water
Ulrich Biedermann
Re: [SIESTA-L] Mulliken Charges on Water
I. Camps
Re: [SIESTA-L] Mulliken Charges on Water
Dan Gil
Re: [SIESTA-L] Mulliken Charges on Water
Ulrich Biedermann
[SIESTA-L] << meaning Transiesta Example files >>
I. Camps
Re: [SIESTA-L] << meaning Transiesta Example files >>
Nick Papior
[SIESTA-L] voltage drop
Zara Nosh
[SIESTA-L] Internal auxiliary supercell
Muhammad Shadman
Re: [SIESTA-L] Internal auxiliary supercell
Nick Papior
Re[2]: [SIESTA-L] Internal auxiliary supercell
Muhammad Shadman
Re: [SIESTA-L] Internal auxiliary supercell
Nick Papior
[SIESTA-L] optical gap
Koussai LAZAAR
Re: [SIESTA-L] optical gap
Peter Koval
Re: [SIESTA-L] optical gap
Koussay LAZAAR
[SIESTA-L] Doping
masoudeh maleki
Re: [SIESTA-L] Doping
Andrei Postnikov
Re: [SIESTA-L] Doping
masoudeh maleki
Re: [SIESTA-L] Doping
Andrei Postnikov
Re: [SIESTA-L] Doping
Andrei Postnikov
[SIESTA-L] BSSE calculations
eft rsd
[SIESTA-L] asterisks and NAN in output
Mochena, Mogus D.
Re: [SIESTA-L] asterisks and NAN in output
Andrei Postnikov
Re: [SIESTA-L] asterisks and NAN in output
Alberto Garcia
[SIESTA-L] Is it Possible to make a movie in SIESTA?
Rishi Sreedhar
Re: [SIESTA-L] Is it Possible to make a movie in SIESTA?
Andrei Postnikov
Re: [SIESTA-L] Is it Possible to make a movie in SIESTA?
Ulrich Biedermann
Re: [SIESTA-L] Is it Possible to make a movie in SIESTA?
Rishi Sreedhar
Re: [SIESTA-L] Is it Possible to make a movie in SIESTA?
Nick Papior
Re: [SIESTA-L] Is it Possible to make a movie in SIESTA?
Rafi Ullah
Re: [SIESTA-L] Is it Possible to make a movie in SIESTA?
RCP
[SIESTA-L] help
nasrin estaji
Re: [SIESTA-L] help
RCP
Re: [SIESTA-L] help
nasrin estaji
Re: [SIESTA-L] help
RCP
[SIESTA-L] parallel installation of netcdf4
Ankita Joshi
Re: [SIESTA-L] parallel installation of netcdf4
Rajesh Thakur
Re: [SIESTA-L] parallel installation of netcdf4
Nick Papior
Re: [SIESTA-L] parallel installation of netcdf4
Ankita Joshi
Re: [SIESTA-L] parallel installation of netcdf4
Nick Papior
Re: [SIESTA-L] parallel installation of netcdf4
nasrin estaji
[SIESTA-L] Failed to generate .nc file in running tbtrans calculation
Ankita Joshi
Re: [SIESTA-L] Failed to generate .nc file in running tbtrans calculation
Nick Papior
[SIESTA-L] error running calculations using parallel tbtrans with netcdf4 support
Ankita Joshi
Re: [SIESTA-L] error running calculations using parallel tbtrans with netcdf4 support
Nick Papior
[SIESTA-L] How to get the wave function
KAREEKUNNAN Afsal
[SIESTA-L] Block Chemical_species_label does not exist.
Jingchao Zhang
Re: [SIESTA-L] Block Chemical_species_label does not exist.
Nick Papior
Re: [SIESTA-L] Block Chemical_species_label does not exist.
Jingchao Zhang
Re: [SIESTA-L] Block Chemical_species_label does not exist.
Nick Papior
[SIESTA-L] Block Chemical_species_label does not exist.
曾晖
Re:[SIESTA-L] Block Chemical_species_label does not exist.
曾晖
Re: [SIESTA-L] Block Chemical_species_label does not exist.
Dhara Raval
[SIESTA-L] error in .mpr file
Ahmad Ali
[SIESTA-L] Induced electric field
Cina Foroutan-Nejad
[SIESTA-L] MaX newsletter August 2017 - Call for MaX Prize Proposals
Pablo Ordejón
[SIESTA-L] Postdoc position for DFT + DMFT
Pablo Ordejón
[SIESTA-L] The relationship between applied voltage and the strength of electric field between two leads
Cina Foroutan-Nejad
[SIESTA-L] siesta-4.0 version vibra
Sunetra Das
Re: [SIESTA-L] siesta-4.0 version vibra
Sunetra Das
[SIESTA-L] SCF convergence problem in Transiesta 4.1-b3
Esmaeil Farajpour Bonab
RE: [SIESTA-L] SCF convergence problem in Transiesta 4.1-b3
AAKANKSHA SUD
Re: [SIESTA-L] SCF convergence problem in Transiesta 4.1-b3
Nick Papior
Re: [SIESTA-L] SCF convergence problem in Transiesta 4.1-b3
Francisco Wellery Nunes Silva
[SIESTA-L] current calculated by TBtrans
强少
[SIESTA-L] about current calculated by TBtrans
成爱强
Re: [SIESTA-L] about current calculated by TBtrans
Nick Papior
[SIESTA-L] Data in SystemLabel.vectors
T. Liu
Re: [SIESTA-L] Data in SystemLabel.vectors
Andrei Postnikov
Re: [SIESTA-L] Data in SystemLabel.vectors
RCP
[SIESTA-L] charg transfer
Zahra Talebi
[SIESTA-L] Thermopower measurements in molecular junctions
zabih allah bolboli nojini
Re: [SIESTA-L] Thermopower measurements in molecular junctions
Nick Papior
Re: [SIESTA-L] Thermopower measurements in molecular junctions
zb . nojini
[SIESTA-L] an issue in tbtran-sisl calculation
Zara Nosh
Re: [SIESTA-L] an issue in tbtran-sisl calculation
Nick Papior
Re: [SIESTA-L] an issue in tbtran-sisl calculation
Zara Nosh
Re: [SIESTA-L] an issue in tbtran-sisl calculation
Nick Papior
Re: [SIESTA-L] an issue in tbtran-sisl calculation
Zara Nosh
[SIESTA-L] electrostatic potential
Zara Nosh
Re: [SIESTA-L] electrostatic potential
Nick Papior
Re: [SIESTA-L] electrostatic potential
Seyed Mohammad Tabatabaei
Re: [SIESTA-L] electrostatic potential
Zara Nosh
[SIESTA-L] electrostatic potential
Zara Nosh
Re: [SIESTA-L] electrostatic potential
Nick Papior
Re: [SIESTA-L] electrostatic potential
Zara Nosh
[SIESTA-L] Electrostatic Potential
Laura O.
[SIESTA-L] electrostatic potential
laura.o.vendrame
Re: [SIESTA-L] electrostatic potential
Zara Nosh
Re: [SIESTA-L] electrostatic potential
Laura O.
Re: [SIESTA-L] electrostatic potential
Julio Henrique
[SIESTA-L] change DOS as increasing supercell size
MB MB
Re: [SIESTA-L] change DOS as increasing supercell size
Sonu Kumar
Re: [SIESTA-L] change DOS as increasing supercell size
sauluck
Re: [SIESTA-L] change DOS as increasing supercell size
MB MB
Re: [SIESTA-L] change DOS as increasing supercell size
sauluck
[SIESTA-L] COHP curves
Максим Арсентьев
[SIESTA-L] Import the Kohn Sham orbitals ψ(p,E,r)
Koussai LAZAAR
[SIESTA-L] Pseudopotential & block PAO.Basis of Te (GGA)
Koussai LAZAAR
[SIESTA-L] Restarting previously failed transiesta calculation
Ankita Joshi
Re: [SIESTA-L] Restarting previously failed transiesta calculation
Nick Papior
[SIESTA-L] orbital current calculation
Zara Nosh
Re: [SIESTA-L] orbital current calculation
Nick Papior
Re: [SIESTA-L] orbital current calculation
Zara Nosh
[SIESTA-L] Transiesta+ Hartree potential correction is the box solution which is not advised.
anita dameh
[SIESTA-L] electrostatic potential in transiesta calculations
Zara Nosh
[SIESTA-L] Fwd: electrostatic potential in transiesta calculations
Zara Nosh
[SIESTA-L] Transiesat error + The integer value of the kT offset for the Gauss-Fermi integral is not valid
anita dameh
Re: [SIESTA-L] Transiesat error + The integer value of the kT offset for the Gauss-Fermi integral is not valid
Nick Papior
Re: [SIESTA-L] Transiesat error + The integer value of the kT offset for the Gauss-Fermi integral is not valid
anita dameh
Re: [SIESTA-L] Transiesat error + The integer value of the kT offset for the Gauss-Fermi integral is not valid
Nick Papior
[SIESTA-L] Bandstructure calculations with changing unit cell size
Ritwik Vatsyayan
Re: [SIESTA-L] Bandstructure calculations with changing unit cell size
Nick Papior
Re: [SIESTA-L] Bandstructure calculations with changing unit cell size
Ritwik Vatsyayan
[SIESTA-L] Fw: question about adsorbtion on graphene surface
Zahra Talebi
Re: [SIESTA-L] Fw: question about adsorbtion on graphene surface
Matías Soto C .
Re: [SIESTA-L] Fw: question about adsorbtion on graphene surface
Zahra Talebi
Re: [SIESTA-L] Fw: question about adsorbtion on graphene surface
Matías Soto C .
[SIESTA-L] Restart without scf loop
Nicolas Duchêne
Re: [SIESTA-L] Restart without scf loop
Alberto Garcia
Re: [SIESTA-L] Restart without scf loop
Nicolas Anton Duchêne
Re: [SIESTA-L] Restart without scf loop
RCP
[SIESTA-L] question about adsorbtion on graphene surface
Zahra Talebi
[SIESTA-L] question about adsorbtion on graphene surface
Zahra Talebi
[SIESTA-L] Which version of openmpi is suitable for compilation
Nick Papior
Re: [SIESTA-L] SCF did not converge in maximum number of steps.
Nick Papior
Re: [SIESTA-L] SCF did not converge in maximum number of steps.
Ankita Joshi
[SIESTA-L] Seebeck coefficient
Chandrima Chakravarty
[SIESTA-L] Pseudopotential & block PAO.Basis of Br
Koussai LAZAAR
RE: [SIESTA-L] Pseudopotential & block PAO.Basis of Br
AAKANKSHA SUD
[SIESTA-L] << full static SIESTA binary >>
I. Camps
Re: [SIESTA-L] << full static SIESTA binary >>
Nick Papior
[SIESTA-L] How to deal with the Pseudo-potential for alkali atoms
Fen Hong
Re: [SIESTA-L] How to deal with the Pseudo-potential for alkali atoms
RCP
Re: [SIESTA-L] How to deal with the Pseudo-potential for alkali atoms
Fen Hong
Re: [SIESTA-L] How to deal with the Pseudo-potential for alkali atoms
RCP
[SIESTA-L] Release of siesta-4.0.1
Nick Papior
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