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SOC and unfolding compatibility
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0
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22
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May 10, 2022
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SOC matrix
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0
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43
|
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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37
|
April 4, 2022
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Unfolding the band structure of non cubic system
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0
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61
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March 9, 2022
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Reasonable values of TBT.Contours.Eta
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0
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78
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February 19, 2022
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Infrastructure problem
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2
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64
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February 9, 2022
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Background charge density and polarization using Berry phase
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0
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108
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September 9, 2021
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Can transmission spectrum exceed 1 within bias window?
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1
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85
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September 8, 2021
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Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
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0
|
94
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September 3, 2021
|
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About Pseudopotential optimization
|
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0
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133
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August 20, 2021
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Generate Relativistic pseudopotential
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1
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101
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August 17, 2021
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Error during siesta master branch installation
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2
|
147
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August 16, 2021
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About OMP and MPI parallelisation
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3
|
116
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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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194
|
August 5, 2021
|
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Local projected density of state using SIESTA/TranSIESTA
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6
|
155
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July 15, 2021
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HSE06 functionals in SIESTA
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1
|
290
|
July 7, 2021
|
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Cube file for non-cubic lattice
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3
|
189
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June 29, 2021
|
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Transiesta calsulation not converging due to 'charge'
|
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5
|
216
|
June 29, 2021
|
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Electronic spin in Pseudopotentials (SIESTA)
|
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2
|
233
|
June 15, 2021
|
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DENCHAR Calculation
|
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1
|
162
|
June 7, 2021
|
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Electrostatic Potential visualisation
|
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7
|
347
|
June 3, 2021
|
|
Semicore States
|
|
17
|
441
|
June 1, 2021
|
|
SIESTA School (online): "First-principles simulations of materials with SIESTA"
|
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0
|
194
|
May 27, 2021
|
|
SIESTA utilities on Window
|
|
1
|
156
|
May 18, 2021
|
|
'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
|
|
11
|
377
|
May 10, 2021
|
|
Spin–Orbit coupling
|
|
1
|
169
|
May 5, 2021
|
|
Additional band lines in band structure
|
|
15
|
586
|
April 1, 2021
|
|
SIESTA 4.1.5 release
|
|
0
|
349
|
March 1, 2021
|
|
<< Compiling Utils using build_all script >>
|
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1
|
229
|
February 27, 2021
|
|
How can I get emails about responses?
|
|
2
|
255
|
February 4, 2021
|