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Geometry.Constraints when doing Geometry Optimization
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1
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5
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September 24, 2021
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Background charge density and polarization using Berry phase
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2
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52
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September 23, 2021
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Pseudopotential for Uranium
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2
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31
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September 18, 2021
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Can transmission spectrum exceed 1 within bias window?
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2
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36
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September 16, 2021
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Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
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0
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35
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September 3, 2021
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About Pseudopotential optimization
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0
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49
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August 20, 2021
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Generate Relativistic pseudopotential
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1
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152
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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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80
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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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61
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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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90
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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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112
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July 15, 2021
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HSE06 functionals in SIESTA
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1
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124
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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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150
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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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116
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June 29, 2021
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Electronic spin in Pseudopotentials (SIESTA)
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2
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176
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June 15, 2021
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DENCHAR Calculation
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1
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115
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June 7, 2021
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Electrostatic Potential visualisation
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7
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194
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June 3, 2021
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Semicore States
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17
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282
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June 1, 2021
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SIESTA School (online): "First-principles simulations of materials with SIESTA"
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0
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134
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May 27, 2021
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SIESTA utilities on Window
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1
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106
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May 18, 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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206
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May 10, 2021
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Spin–Orbit coupling
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1
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120
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May 5, 2021
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Additional band lines in band structure
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15
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434
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April 1, 2021
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SIESTA 4.1.5 release
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0
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246
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March 1, 2021
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<< Compiling Utils using build_all script >>
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1
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170
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February 27, 2021
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How can I get emails about responses?
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2
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173
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February 4, 2021
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Kpoints read from input
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3
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194
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February 4, 2021
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Siesta: Recent developments and applications
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0
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275
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September 21, 2020
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The SIESTA method; developments and applicability
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0
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199
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September 21, 2020
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Performance Analysis of Electronic Structure Codes on HPC Systems: A Case Study of SIESTA
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0
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225
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September 21, 2020
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