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Siesta master branch, Intel MKL FATAL ERROR
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2
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13
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September 27, 2023
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Installation of Siesta and Wannier collaboration
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0
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90
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August 4, 2023
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How to solve the energy jump problem of molecular dynamics?
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0
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72
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July 15, 2023
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Siesta Bethe-Salpeter
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1
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84
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July 11, 2023
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Siesta 4.1.5 does not produce .tsde file
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2
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95
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July 5, 2023
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Homo/Lumo in transiesta
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2
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260
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July 4, 2023
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Total energy of two-probe calculations
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1
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111
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July 4, 2023
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AIMD simulation
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2
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100
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June 20, 2023
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External potential at atomic sites
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1
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95
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June 8, 2023
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The way to obtain band representation
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0
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73
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May 24, 2023
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The way to update charge density in SCF loop
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0
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82
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May 4, 2023
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Limiting the number of bands during calculations
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0
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91
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April 24, 2023
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How to compute the work function in siesta?
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0
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140
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April 17, 2023
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Quantum dot bias calculation
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0
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117
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April 10, 2023
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Error: "You might have an extra low-lying basis orbital for Pb"
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0
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151
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April 10, 2023
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Constraints in positive or negative z-direction
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0
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106
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April 7, 2023
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TRansiesta InputError
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0
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93
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March 30, 2023
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Error when running optical_input (siesta 5.0.0)
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0
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121
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March 20, 2023
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Problem in Pseudopotentials and Basis
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1
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118
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March 15, 2023
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Basis set optimization with spin polarization
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0
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156
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March 6, 2023
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Regarding electrodes .TSHS files in scattering region calculation
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2
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164
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February 26, 2023
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Convergence Calculation
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0
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148
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February 15, 2023
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Encountering several errors while compiling siesta with psml support
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1
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170
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February 12, 2023
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How to use PBE functional with D2 correction?
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1
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195
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January 25, 2023
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Projected Band Structure over specific atoms in SIESTA
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1
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293
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January 23, 2023
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Basis set optimization
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1
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266
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January 23, 2023
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Basis set empty orbitals
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2
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221
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November 8, 2022
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Parallel Run
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3
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1482
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November 8, 2022
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Severe challenges with phonon transport
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1
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323
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November 5, 2022
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Denchar calculation2022
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0
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203
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October 21, 2022
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