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Optical loss spectra
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0
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33
|
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
|
June 20, 2022
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Error for perturbative polarization for Li atom
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0
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89
|
June 4, 2022
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SOC matrix
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0
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86
|
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
|
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
|
441
|
July 7, 2021
|
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Cube file for non-cubic lattice
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3
|
251
|
June 29, 2021
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Transiesta calsulation not converging due to 'charge'
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5
|
299
|
June 29, 2021
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DENCHAR Calculation
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1
|
206
|
June 7, 2021
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Electrostatic Potential visualisation
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7
|
437
|
June 3, 2021
|
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'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
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11
|
494
|
May 10, 2021
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Spin–Orbit coupling
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1
|
193
|
May 5, 2021
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Kpoints read from input
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3
|
286
|
February 4, 2021
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Calculate the BSSE correction in the van der Waals funcional
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0
|
425
|
June 9, 2020
|
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Makov Payne correcttion
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2
|
594
|
May 23, 2020
|
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Error in Reading Pseudopotentials
|
|
2
|
520
|
April 17, 2020
|