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Files for the NEB tutorial
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2
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11
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June 21, 2022
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Fermi level for semiconductors
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0
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5
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June 21, 2022
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Failed to build the Util/Gen-basis
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6
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26
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June 20, 2022
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Spherical Bessel Functions
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0
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8
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June 20, 2022
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HSE06 hybrid functionals in siesta
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0
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10
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June 20, 2022
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Siesta output error
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0
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15
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June 16, 2022
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Any software that could create the atom configuration used in the fdf file?
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1
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30
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June 15, 2022
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Is it possible to simulate the response to shaped pulses in SIESTA with TDDFT?
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0
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11
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June 15, 2022
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Parallel Run
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2
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1011
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June 14, 2022
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What is the best option to install SIESTA's dependencies?
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3
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20
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June 10, 2022
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Simune basis set
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3
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26
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June 9, 2022
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Error for perturbative polarization for Li atom
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0
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52
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June 4, 2022
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SOC and unfolding compatibility
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0
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43
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May 10, 2022
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SOC matrix
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0
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58
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April 7, 2022
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If the mess cutoff and k-point are optimized for bismuth sulfide (orthorhombic structure ), then the total energy is coming positive? How get E total negative energy
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0
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48
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April 4, 2022
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Unfolding the band structure of non cubic system
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0
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83
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March 9, 2022
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Reasonable values of TBT.Contours.Eta
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0
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110
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February 19, 2022
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Infrastructure problem
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2
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84
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February 9, 2022
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Background charge density and polarization using Berry phase
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0
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124
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September 9, 2021
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Can transmission spectrum exceed 1 within bias window?
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1
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103
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September 8, 2021
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Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
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0
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110
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September 3, 2021
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About Pseudopotential optimization
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0
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162
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August 20, 2021
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Generate Relativistic pseudopotential
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1
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116
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August 17, 2021
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Error during siesta master branch installation
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2
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166
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August 16, 2021
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About OMP and MPI parallelisation
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3
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149
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August 16, 2021
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LDA pseudopotential for Carbon - good for molecules, bad for graphene?
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5
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237
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August 5, 2021
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Local projected density of state using SIESTA/TranSIESTA
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6
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184
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July 15, 2021
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HSE06 functionals in SIESTA
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1
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356
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July 7, 2021
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Cube file for non-cubic lattice
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3
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209
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June 29, 2021
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Transiesta calsulation not converging due to 'charge'
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5
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249
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June 29, 2021
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