Optical loss spectra
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0
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33
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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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33
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July 8, 2022
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Applying multiple gates
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0
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35
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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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48
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June 21, 2022
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HSE06 hybrid functionals in siesta
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0
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49
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June 20, 2022
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Error for perturbative polarization for Li atom
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0
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89
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June 4, 2022
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SOC matrix
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0
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86
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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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69
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April 4, 2022
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Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
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0
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144
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September 3, 2021
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Generate Relativistic pseudopotential
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1
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137
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August 17, 2021
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About OMP and MPI parallelisation
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3
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199
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August 16, 2021
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Local projected density of state using SIESTA/TranSIESTA
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6
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216
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July 15, 2021
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HSE06 functionals in SIESTA
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1
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441
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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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251
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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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299
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June 29, 2021
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DENCHAR Calculation
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1
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206
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June 7, 2021
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Electrostatic Potential visualisation
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7
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437
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June 3, 2021
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'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
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11
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494
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May 10, 2021
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Spin–Orbit coupling
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1
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193
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May 5, 2021
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Kpoints read from input
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3
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286
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February 4, 2021
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Calculate the BSSE correction in the van der Waals funcional
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0
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425
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June 9, 2020
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Makov Payne correcttion
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2
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594
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May 23, 2020
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Error in Reading Pseudopotentials
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2
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520
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April 17, 2020
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