Índice temático
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[SIESTA-L] for full-relativistic Pp
AK- HYDRA
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[SIESTA-L] Macroscopic polarization in 2D materials
Nayereh Ghobadi
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[SIESTA-L] Pseudos for vdW functional?
D. Bennett
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[SIESTA-L] please guide me about NM, FM and AFM.
alok karn
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[SIESTA-L] disappearing Atoms in bulk structure
alok karn
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[SIESTA-L] Job is not completed successfully during electric field calcualtion
Jyotirmoy Deb
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Re: [SIESTA-L] tbtrans errors
Nick Papior
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[SIESTA-L] EELS Spectra with SIESTA
Seyed Mohammad Tabatabaei
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[SIESTA-L] PDOS Up and Down
rayan moukhadder
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[SIESTA-L] E(Fermi)
rayan moukhadder
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[SIESTA-L] K points in TranSIESTA vs TbTrans question
El-abed Haidar
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[SIESTA-L] DFT-half method and pseudopotential files
berna uyanık
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[SIESTA-L] Inverse Participation Ratio (IPR)
Medondjio Linda
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[SIESTA-L] Fw: How to read WFSX file
Medondjio Linda
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[SIESTA-L] Conductance plot
rayan moukhadder
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[SIESTA-L] Infrared Intensity for bulk
Alaa Akkoush (Alumni)
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[SIESTA-L] Optical properties in SIESTA
Giacomo Giorgi
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[SIESTA-L] [***RedIris: Posible SPAM***] .AVTRANS
rayan moukhadder
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[SIESTA-L] [SIESTA] Looking for a collaboration
Yuvam Bhateja
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Re: [SIESTA-L] SCF not converging for Cr2O3
Andrei Postnikov
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[SIESTA-L] how to define the value of rc to generate pseudo potential
niuniubiubiu chen
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[SIESTA-L] Fw: how to set rc(s) rc(p) rc(d) rc(f) rcore_flag rcore with ATOM
陈京金
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[SIESTA-L] Cobalt chain
rayan moukhadder
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[SIESTA-L] PDOS and EIG files in transiesta
rayan moukhadder
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RE: [SIESTA-L] [SIESTA-user] Problem while installing psml compatible SIESTA
FOURCHES Nicolas
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[SIESTA-L] Pseudo potentials for Mg and O
DELAYE Jean-Marc
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[SIESTA-L] [SIESTA-USER] Error in setting up psml supported SIESTA
Yuvam Bhateja
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[SIESTA-L] << Materials Modeling Stack Exchange >>
I. Camps
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RE: [SIESTA-L] Transiesta DM does not converge
El-abed Haidar
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[SIESTA-L] TranSIESTA and Tb trans K points
El-abed Haidar
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[SIESTA-L] PDOS at a vacuum on top of a slab
Soumyajyoti Haldar
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[SIESTA-L] DOES TranSIESTA support LDA+U in siesta 4.1b4?
El-abed Haidar
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[SIESTA-L] [SIESTA] Performing geometrical optimization
Yuvam Bhateja
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[SIESTA-L] To compile siesta in Windows
berna uyanık
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[SIESTA-L] Transietsa/sisl problem
shirin zandi
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[SIESTA-L] SIESTA psf file for tungsten
Jyotirmoy Deb
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[SIESTA-L] Abinitio MD simulations
pooja pu
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[SIESTA-L] regarding pDOS
RUPESH TIWARI
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[SIESTA-L] << Error compiling Util/COOP >>
I. Camps
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[SIESTA-L] wave function coefficientes in a calculation with SO
Pablo Aguado
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[SIESTA-L] Fwd: Bulk transmission values
shirin zandi
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[SIESTA-L] Thermal stability
pooja pu
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[SIESTA-L] Creating data of TSGFL and TSGFR
RUPESH TIWARI
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[SIESTA-L] Still confused about K points in siesta, transiesta and tbtrans in siesta 4.1b4
El-abed Haidar
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[SIESTA-L] Problems with Pseudo potentials generation (PBEsol)
DELAYE Jean-Marc
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[SIESTA-L] siesta geometry optimization stuck in a local minimum with broyden method
Boubacar Traore
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[SIESTA-L] DFPT for calculating phonon spectrum
Руслан Жачук
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[SIESTA-L] subscribe
Руслан Жачук
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[SIESTA-L] If you need help for running your job
berna uyanık
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[SIESTA-L] Sb Pseudopotentials
Dr. Vipin KUMAR
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[SIESTA-L] How to fix the k-points
RUPESH TIWARI
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[SIESTA-L] Convergence failure
RUPESH TIWARI
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Re: [SIESTA-L] Concerning K points in siesta, transiesta and tbtrans
Nick Papior
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[SIESTA-L] XSF file for Al2O3
Adeel ahmed awan
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[SIESTA-L] mix:Pulay --inversion failed,
SIFUNA, james
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[SIESTA-L] Error on transfer matrix indices... Stopping Program from Node X (Siesta-4.1b3)
Rajesh Thakur
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Re: [SIESTA-L] Fwd: errors with Siesta Version : v4.1-b4
Nick Papior
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[SIESTA-L] << new PSML format >>
I. Camps
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[SIESTA-L] Forces are 0.000000 on all atoms in an polymorph of BiFeO3 crystal
popov
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[SIESTA-L] pseudopotential file and basis set for Tb and Dy
RUPESH TIWARI
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[SIESTA-L] How to calculate state-resolved transmission function
Jingxian Yu
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[SIESTA-L] Difference between TBT.DOS.Gf and TBT.DOS.A
El-abed Haidar
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[SIESTA-L] Restarting a siesta job
RAHUL SURESH
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[SIESTA-L] Error in Cholesky factorization
Giacomo Giorgi
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[SIESTA-L] Siesta on GPU
RAHUL SURESH
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[SIESTA-L] I_V CHARACTERISTIC
Aggelos Avramopoulos
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[SIESTA-L] Error in Electrode Calculation in 4.1-b4
Dwaipayan Chakraborty
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[SIESTA-L] I_V characteristic and conductivity
Aggelos Avramopoulos
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[SIESTA-L] Asking for alternative to extract PDOS from tbtrans
El-abed Haidar
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[SIESTA-L] Siesta scattering calculation
Dr. Vipin KUMAR
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[SIESTA-L] `ms_scalapack_setup_' on latest siesta releases (eg siesta-master)
Salvador Barraza-Lopez
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[SIESTA-L] Erroneous electrode setup, check out-put
Ziba Torkashvand
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
El-abed Haidar
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Adeel ahmed awan
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Nick Papior
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Ziba Torkashvand
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
El-abed Haidar
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Nick Papior
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Ziba Torkashvand
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Ziba Torkashvand
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Nick Papior
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Re: [SIESTA-L] Erroneous electrode setup, check out-put
Ziba Torkashvand
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[SIESTA-L] Specify geometry in .fdf only from .XV file
D. Bennett
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[SIESTA-L] Current Value is not printing in the tbtrans output file (TBT.out)
Dwaipayan Chakraborty
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[SIESTA-L] Is the current or transmission proportional to the unit cell size?
El-abed Haidar
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[SIESTA-L] scf not converged
RAHUL SURESH