How to use PBE functional with D2 correction?
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1
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9
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January 25, 2023
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Total energy of two-probe calculations
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0
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6
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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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61
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January 23, 2023
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Basis set optimization
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1
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77
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January 23, 2023
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Basis set empty orbitals
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2
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74
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November 8, 2022
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Parallel Run
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3
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1229
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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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103
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November 5, 2022
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Denchar calculation2022
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0
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61
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October 21, 2022
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Homo/Lumo in transiesta
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0
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66
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October 13, 2022
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Discrepancy in the magnetic moment from SIESTA and VASP
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0
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105
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September 17, 2022
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TRansiesta out put error
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1
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132
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August 8, 2022
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Is there some limitation about processors instructions and siesta compilations?
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0
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187
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August 3, 2022
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What is the best option to install SIESTA's dependencies?
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4
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260
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August 2, 2022
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chenn0a
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0
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104
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July 29, 2022
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Optical loss spectra
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0
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102
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July 13, 2022
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About the accuracy of the lattest siesta-master (psml supported) version
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0
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118
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July 8, 2022
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Applying multiple gates
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0
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108
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June 30, 2022
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Files for the NEB tutorial
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2
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148
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June 21, 2022
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Fermi level for semiconductors
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0
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110
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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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150
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June 20, 2022
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Spherical Bessel Functions
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0
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108
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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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140
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June 20, 2022
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Siesta output error
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0
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134
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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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144
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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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109
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June 15, 2022
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Simune basis set
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3
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140
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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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162
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June 4, 2022
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SOC and unfolding compatibility
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0
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137
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May 10, 2022
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SOC matrix
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0
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143
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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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116
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April 4, 2022
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