Índice cronológico
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2021/08/17
[SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
veerpal kaur dhiman
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2021/08/17
[SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
veerpal kaur dhiman
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2021/08/15
RE: [SIESTA-L] << SCF convergence issues >>
El-abed Haidar
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2021/08/14
RE: [SIESTA-L] << SCF convergence issues >>
El-abed Haidar
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2021/08/14
Re: [SIESTA-L] << SCF convergence issues >>
I. Camps
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2021/08/13
Re: [SIESTA-L] << SCF convergence issues >>
Nick Papior
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2021/08/13
RE: [SIESTA-L] << SCF convergence issues >>
El-abed Haidar
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2021/08/12
[SIESTA-L] << SCF convergence issues >>
I. Camps
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2021/08/12
[SIESTA-L] About efficient siesta runs
El-abed Haidar
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2021/08/07
[SIESTA-L] Fictitious materials in Siesta
Pasan Henadeera
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2021/08/06
[SIESTA-L] Atomic coordinates affect the auxiliary supercell
Karen Fidanyan
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2021/08/01
Re: [SIESTA-L] Quantum Hall Effect
Emilio Artacho
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2021/07/31
[SIESTA-L] Quantum Hall Effect
Pooja Gangare
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2021/07/17
[SIESTA-L] Setting up magnetite input file
Hugo Andres Cabrera Tinoco
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2021/07/14
RE: [SIESTA-L] Compiling siesta 4.1.b4 and 4.1.5 with intel tools fails at iogrid_netcdf.F90
Jimenez Alfaro, Jorge (NASERTIC)
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2021/07/13
Re: [SIESTA-L] Compiling siesta 4.1.b4 and 4.1.5 with intel tools fails at iogrid_netcdf.F90
Alberto Garcia
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2021/07/12
[SIESTA-L] Compiling siesta 4.1.b4 and 4.1.5 with intel tools fails at siesta_cmlsubs.F90
Jimenez Alfaro, Jorge (NASERTIC)
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2021/07/12
[SIESTA-L] Compiling siesta 4.1.b4 and 4.1.5 with intel tools fails at iogrid_netcdf.F90
Jimenez Alfaro, Jorge (NASERTIC)
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2021/07/09
[SIESTA-L] PDOS calculation
fatemeh badieian baghsiyahi
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2021/07/07
[SIESTA-L] problem in parallel installation of siesta
vahid rezai
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2021/07/02
[SIESTA-L] Magnetic and non magnetic configuration issue in 4x4 Fe-doped graphene
Hugo Andrés
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2021/06/30
Re: [SIESTA-L] Compiling and running Siesta with openMPI-2.0.2, gfortran-6.3.0 (Debian 9)
Nick Papior
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2021/06/30
Re: [SIESTA-L] Compiling and running Siesta with openMPI-2.0.2, gfortran-6.3.0 (Debian 9)
Karen Fidanyan
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2021/06/30
Re: [SIESTA-L] Compiling and running Siesta with openMPI-2.0.2, gfortran-6.3.0 (Debian 9)
Nick Papior
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2021/06/29
Re: [SIESTA-L] Compiling and running Siesta with openMPI-2.0.2, gfortran-6.3.0 (Debian 9)
Nick Papior
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2021/06/29
Re: [SIESTA-L] Question about sisl geometry creation
Nick Papior
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2021/06/28
[SIESTA-L] Question about sisl geometry creation
Zerota Achili
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2021/06/28
[SIESTA-L] Compiling and running Siesta with openMPI-2.0.2, gfortran-6.3.0 (Debian 9)
Karen Fidanyan
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2021/06/28
[SIESTA-L] spin polarized wavefunctions
Ziba Torkashvand
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2021/06/18
Re: [SIESTA-L] Transport calculation of long molecules
Nick Papior
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2021/06/17
[SIESTA-L] A new Github action for running Siesta on Github
Shantanu Dash
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2021/06/17
[SIESTA-L] Transport calculation of long molecules
zhyphy
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2021/06/14
Re: [SIESTA-L] How to get the numerical value of electron density
Alberto Garcia
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2021/06/13
[SIESTA-L] How to get the numerical value of electron density
Jyotirmoy Deb
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2021/06/09
[SIESTA-L] vdw correction and pseudo files
ruben soria martinez
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2021/06/05
Re: [SIESTA-L] Transiesta calsulation not converging due to 'charge'
Nick Papior
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2021/06/04
[SIESTA-L] Transiesta calsulation not converging due to 'charge'
Shubham Tyagi
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2021/06/03
Re: [SIESTA-L] cube for non-cubic lattice
Nick Papior
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2021/06/03
[SIESTA-L] Final reminder: online school "First-principles simulations of materials with SIESTA"
José María Escartín Esteban
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2021/06/01
Re: [SIESTA-L] cube for non-cubic lattice
Reza Behjatmanesh-Ardakani
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2021/05/28
Re: [SIESTA-L] cube for non-cubic lattice
Nick Papior
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2021/05/27
[SIESTA-L] cube for non-cubic lattice
Reza Behjatmanesh-Ardakani
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2021/05/26
[SIESTA-L] School (online): "First-principles simulations of materials with SIESTA"
José María Escartín Esteban
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2021/05/25
Re: [SIESTA-L] constr.f problems
fthenak
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2021/05/24
Re: [SIESTA-L] constr.f problems
Roberto Pasianot
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2021/05/24
Re: [SIESTA-L] constr.f problems
Pablo Álvarez Rodríguez
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2021/05/23
Re: [SIESTA-L] constr.f problems
Nick Papior
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2021/05/21
Re: [SIESTA-L] constr.f problems
Oscar
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2021/05/21
Re: [SIESTA-L] constr.f problems
Roberto Pasianot
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2021/05/21
Re: [SIESTA-L] constr.f problems
Alberto Garcia
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2021/05/20
[SIESTA-L] constr.f problems
Pablo Álvarez Rodríguez
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2021/05/16
Re: [SIESTA-L] Bandlines regarding
Zeila Zanolli
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2021/05/13
[SIESTA-L] Bandlines regarding
RAHUL SURESH
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2021/05/11
[SIESTA-L] The valence of a doping atom?
Dmitriy Muzychenko
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2021/05/08
[SIESTA-L] MD simulation. Change the H2 coordinate, the temperature fluctuation range changes obviously
zys
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2021/04/25
[SIESTA-L] zigzag nanoribbon
Zahra Talebi
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2021/04/22
Re: [SIESTA-L] << Increasing RHO mesh >>
Nick Papior
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2021/04/16
Re: [SIESTA-L] << Increasing RHO mesh >>
I. Camps
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2021/04/14
Re: [SIESTA-L] << Increasing RHO mesh >>
Nick Papior
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2021/04/09
Re: [SIESTA-L] << Increasing RHO mesh >>
I. Camps
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2021/04/09
Re: [SIESTA-L] extracting band gap from EIG file
Nick Papior
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2021/04/08
RE: [SIESTA-L] extracting band gap from EIG file
El-abed Haidar
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2021/04/07
Re: [SIESTA-L] << Increasing RHO mesh >>
Nick Papior
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2021/04/07
Re: [SIESTA-L] about the transiesta/tbtrans in the system with hexagonal cells
Nick Papior
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2021/04/07
Re: [SIESTA-L] extracting band gap from EIG file
Nick Papior
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2021/04/07
Re: [SIESTA-L] MD.Annealing
Nick Papior
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2021/04/07
Re: [SIESTA-L] Finding fat bands without redoing the calculation
Nick Papior
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2021/04/06
[SIESTA-L] Constrain constant area
Oscar
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2021/04/02
RE: [SIESTA-L] Finding fat bands without redoing the calculation
El-abed Haidar
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2021/04/01
Re: [SIESTA-L] Finding fat bands without redoing the calculation
Alberto Garcia
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2021/04/01
Re: [SIESTA-L] << Increasing RHO mesh >>
I. Camps
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2021/03/31
[SIESTA-L] about the transiesta/tbtrans in the system with hexagonal cells
Bo Xiao
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2021/03/31
[SIESTA-L] extracting band gap from EIG file
El-abed Haidar
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2021/03/31
[SIESTA-L] Finding fat bands without redoing the calculation
El-abed Haidar
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2021/03/29
Re: [SIESTA-L] << Increasing RHO mesh >>
Nick Papior
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2021/03/28
[SIESTA-L] << Increasing RHO mesh >>
I. Camps
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2021/03/24
[SIESTA-L] MD.Annealing
Sergey Lisenkov
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2021/03/24
Re: [SIESTA-L] << GUI for SIESTA >>
Hongyi Zhao
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2021/03/23
[SIESTA-L] << GUI for SIESTA >>
I. Camps
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2021/03/23
Re: [SIESTA-L] Electrode connectivity is not perfect
Dwaipayan Chakraborty
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2021/03/22
[SIESTA-L] SIESTA-Max-Optical response
Hamed Abbasian
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2021/03/22
Re: [SIESTA-L] How to find the individual atom contribution to the dipole moment siesta?
Lukas Deuchler
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2021/03/19
Re: [SIESTA-L] Electrode connectivity is not perfect
Nick Papior
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2021/03/19
[SIESTA-L] How to find the individual atom contribution to the dipole moment siesta?
Harkishan Dua
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2021/03/18
[SIESTA-L] Electrode connectivity is not perfect
Dwaipayan Chakraborty
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2021/03/15
[SIESTA-L] about Chern number and Barry phase
AK- HYDRA
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2021/03/13
Re: [SIESTA-L] [CCC-UAM #1087] Resolved: Re: << Compiling Utils using build_all scrip >>
Rajani Narayanasetti
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2021/03/13
Re: [SIESTA-L] Query regarding charge calculation using SCF charge density difference
Harkishan Dua
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2021/03/03
Re: [SIESTA-L] About TbTrans and K points
Nick Papior
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2021/03/03
RE: [SIESTA-L] About TbTrans and K points
El-abed Haidar
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2021/03/02
Re: [SIESTA-L] About TbTrans and K points
Nick Papior
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2021/03/02
RE: [SIESTA-L] About TbTrans and K points
El-abed Haidar
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2021/03/01
Re: [SIESTA-L] About TbTrans and K points
Nick Papior
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2021/02/28
RE: [SIESTA-L] Query regarding charge calculation using SCF charge density difference
FOURCHES Nicolas
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2021/02/27
Re: [SIESTA-L] Query regarding charge calculation using SCF charge density difference
Andrei Postnikov
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2021/02/27
[SIESTA-L] About TbTrans and K points
El-abed Haidar
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2021/02/26
[SIESTA-L] Query regarding charge calculation using SCF charge density difference
Harkishan Dua
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2021/02/24
[SIESTA-L] Charge stored using SCF charge density difference
Harkishan Dua
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2021/02/23
Re: [SIESTA-L] Passivation with hydrogen
Alberto Garcia
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2021/02/22
[SIESTA-L] Passivation with hydrogen
Mochena, Mogus D.
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2021/02/19
[SIESTA-L] [CCC-UAM #1102] Resolved: Re: << Compiling Utils using build_all scrip >>
María Martínez Garrido via RT
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2021/02/19
[SIESTA-L] Koh-Sham eigenvalues
toufik esssakhri
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2021/02/19
[SIESTA-L] [CCC-UAM #1102] Resolved: Re: << Compiling Utils using build_all scrip >>
María Martínez Garrido via RT
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2021/02/19
Re: [SIESTA-L] [CCC-UAM #1102] Resolved: Re: << Compiling Utils using build_all scrip >>
I. Camps via RT
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2021/02/19
[SIESTA-L] Fwd: [CCC-UAM #1102] Resolved: Re: << Compiling Utils using build_all scrip >>
Alberto Garcia via RT
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2021/02/18
[SIESTA-L] [CCC-UAM #1102] Resolved: Re: << Compiling Utils using build_all scrip >>
María Martínez Garrido via RT
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2021/02/17
[SIESTA-L] [CCC-UAM #1087] Resolved: Re: << Compiling Utils using build_all scrip >>
gonconas via RT
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2021/02/17
Re: [SIESTA-L] << Compiling Utils using build_all scrip >>
Nick Papior
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2021/02/16
Re: [SIESTA-L] << Compiling Utils using build_all scrip >>
I. Camps
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2021/02/10
[SIESTA-L] [CCC-UAM #1005] Resolved: Re: Band structure for BiFeO3
gonconas via RT
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2021/02/10
[SIESTA-L] [CCC-UAM #1004] Resolved: Re: Band structure for BiFeO3
gonconas via RT
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2021/02/09
Re: [SIESTA-L] Band structure for BiFeO3
ionut ghitiu
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2021/02/09
Re: [SIESTA-L] Band structure for BiFeO3
Andrei Postnikov
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2021/02/09
[SIESTA-L] [CCC-UAM #549] Resolved: Band structure for BiFeO3
psm via RT
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2021/02/08
[SIESTA-L] Band structure for BiFeO3
ionut ghitiu
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2021/02/04
[SIESTA-L] Siesta 4.1.5 released
José María Escartín Esteban
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2021/02/04
Re: [SIESTA-L] << Compiling Utils using build_all scrip >>
Alberto Garcia
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2021/02/04
Re: [SIESTA-L] << Compiling Utils using build_all scrip >>
Nick Papior
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2021/02/03
[SIESTA-L] << Compiling Utils using build_all scrip >>
I. Camps
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2021/02/02
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
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2021/02/01
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Nick Papior
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2021/01/29
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
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2021/01/29
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
I. Camps
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2021/01/25
Re: [SIESTA-L] Puzzle in Spin Polarized calculation in Siesta
Dmitriy Muzychenko
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2021/01/25
Re: [SIESTA-L] FW: Concerning Denchar
Nick Papior
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2021/01/23
RE: [SIESTA-L] FW: Concerning Denchar
El-abed Haidar
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2021/01/22
Re: [SIESTA-L] FW: Concerning Denchar
Nick Papior
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2021/01/22
Re: [SIESTA-L] Puzzle in Spin Polarized calculation in Siesta
Andrei Postnikov
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2021/01/21
Re: [SIESTA-L] Denchar command "denchar -k 3 -w 4 file.fdf " not working ?
Nick Papior
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2021/01/21
Re: [SIESTA-L] Denchar command "denchar -k 3 -w 4 file.fdf " not working ?
Nick Papior
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2021/01/21
[SIESTA-L] Puzzle in Spin Polarized calculation in Siesta
Dmitriy Muzychenko
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2021/01/19
RE: [SIESTA-L] Denchar command "denchar -k 3 -w 4 file.fdf " not working ?
El-abed Haidar
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2021/01/18
Re: [SIESTA-L] problem with the DOS
Nick Papior
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2021/01/18
Re: [SIESTA-L] Denchar command "denchar -k 3 -w 4 file.fdf " not working ?
Nick Papior
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2021/01/17
[SIESTA-L] problem with the DOS
AK- HYDRA
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2021/01/16
RE: [SIESTA-L] FW: Concerning Denchar
El-abed Haidar
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2021/01/16
[SIESTA-L] Denchar command "denchar -k 3 -w 4 file.fdf " not working ?
El-abed Haidar
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2021/01/15
Re: [SIESTA-L] FW: Concerning Denchar
Nick Papior
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2021/01/14
[SIESTA-L] FW: Concerning Denchar
ehai2584
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2021/01/09
Re: [SIESTA-L] Fe Basis set
Alejandra Chavarría
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2021/01/08
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
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2021/01/07
Re: [SIESTA-L] Fe Basis set
Emilio Artacho
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2021/01/06
[SIESTA-L] psml-r1 install error
Bo Xiao
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2021/01/05
Re: [SIESTA-L] Fe Basis set
Roberto Pasianot
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2021/01/04
[SIESTA-L] Fe Basis set
Alejandra Chavarría
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2020/12/23
Re: [SIESTA-L] Linux distro that is 100% ready for SIESTA?
Nick Papior
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2020/12/21
[SIESTA-L] Linux distro that is 100% ready for SIESTA?
Boucher, Dr. Derrick
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2020/12/19
Re: [SIESTA-L] VDW calculations with ghost atom error
Seyed Mohammad Tabatabaei
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2020/12/18
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
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2020/12/18
RE: [SIESTA-L] Issue with Denchar
El-abed Haidar
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2020/12/18
[SIESTA-L] VDW calculations with ghost atom error
Najmeh Honari
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2020/12/18
RE: [SIESTA-L] Issue with Denchar
El-abed Haidar
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2020/12/17
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Nick Papior
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2020/12/17
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Alberto Garcia
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2020/12/17
Re: [SIESTA-L] Issue with Denchar
Alberto Garcia
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2020/12/16
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
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2020/12/16
Re: [SIESTA-L] Issue with Denchar
El-abed Haidar
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2020/12/15
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Nick Papior
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2020/12/15
Re: [SIESTA-L] Issue with Denchar
Alberto Garcia
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2020/12/15
Re: [SIESTA-L] Issue with Denchar
Nick Papior
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2020/12/14
[SIESTA-L] Issue with Denchar
El-abed Haidar
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2020/12/14
RE: [SIESTA-L] How to calculate charge density difference using siesta?
El-abed Haidar
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2020/12/14
Re: [SIESTA-L] How to calculate charge density difference using siesta?
db...@cam.ac.uk
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2020/12/13
[SIESTA-L] How to calculate charge density difference using siesta?
Harkishan Dua
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2020/12/13
Re: [SIESTA-L] Inconsistency in polarization orbital error for Fe
Alejandra Chavarría
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2020/12/13
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
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2020/12/12
Re: [SIESTA-L] Inconsistency in polarization orbital error for Fe
Emilio Artacho
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2020/12/12
Re: [SIESTA-L] SIESTA (GitLab version) installation failure
Nick Papior
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2020/12/11
[SIESTA-L] Inconsistency in polarization orbital error for Fe
Alejandra Chavarría
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2020/12/11
[SIESTA-L] SIESTA (GitLab version) installation failure
Tamas Karpati
-
2020/12/09
Re: [SIESTA-L] spin polarized bands
veerpal kaur dhiman
-
2020/12/09
Re: [SIESTA-L] spin polarized bands
veerpal kaur dhiman
-
2020/12/09
Re: [SIESTA-L] spin polarized bands
veerpal kaur dhiman
-
2020/12/08
Re: [SIESTA-L] spin polarized bands
Nick Papior
-
2020/12/08
Re: [SIESTA-L] Denchar software inquiry
Nick Papior
-
2020/12/07
[SIESTA-L] Denchar software inquiry
El-abed Haidar
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2020/12/04
Re: [SIESTA-L] spin polarized bands
Sankushkrishna Maheshuni
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2020/12/03
[SIESTA-L] spin polarized bands
veerpal kaur dhiman
-
2020/12/02
Re: [SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
veerpal kaur dhiman
-
2020/12/01
Re: [SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
veerpal kaur dhiman
-
2020/11/30
Re: [SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
Nick Papior
-
2020/11/27
[SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
veerpal kaur dhiman
-
2020/11/18
Re: [SIESTA-L] Parallel siesta crashing during SCF
Nick Papior
-
2020/11/17
[SIESTA-L] Parallel siesta crashing during SCF
D. Bennett
-
2020/11/04
Re: [SIESTA-L] Performance issue in Pd slab calculation
Nick Papior
-
2020/10/30
[SIESTA-L] vdW functional with revPBE xc functional
Yuvam Bhateja
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2020/10/13
[SIESTA-L] Vibrations frequencies with SIESTA
Ahmed Agri
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2020/10/13
[SIESTA-L] problem with getting current in armchair MOS2 nanoribbon in transiesta
somayeh rudi
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2020/10/13
[SIESTA-L] Fw: problem with getting current in armchair MOS2 nanoribbon in transiesta
somayeh rudi
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2020/10/13
[SIESTA-L] problem with getting current in armchair MOS2 nanoribbon in transiesta
Samaneh Soleimani-Amiri
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2020/10/13
[SIESTA-L] problem with getting current in armchair MOS2 nanoribbon in transiesta
Samaneh Soleimani-Amiri
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2020/10/13
[SIESTA-L] problem with getting current in armchair MOS2 nanoribbon in transiesta
Samaneh Soleimani-Amiri
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2020/10/13
[SIESTA-L] Electron transport analysis in a periodic structure.
Yuvam Bhateja
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2020/10/07
[SIESTA-L] some transport problems
zhyphy
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2020/10/05
Re: [SIESTA-L] How to find find variation of potential with distance in siesta
Nick Papior
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2020/10/03
Re: [SIESTA-L] How to find find variation of potential with distance in siesta
Harkishan Dua
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2020/10/02
Re: [SIESTA-L] VDW+U in siesta and TRANSIESTA calculation
berna uyanık
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2020/09/30
[SIESTA-L] VDW+U in siesta and TRANSIESTA calculation
Mehr Iran
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2020/09/29
Re: [SIESTA-L] Question about the number of electrons considered in the pseudopotential
Premlata Narwaria
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2020/09/28
Re: [SIESTA-L] Question about the number of electrons considered in the pseudopotential
Premlata Narwaria