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How does the current depend on width of the channel
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6
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65
|
November 18, 2021
|
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Where I can get script for systematic optimization Mesh cut off ,K point
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1
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62
|
November 14, 2021
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Ch_overlap: the cutoff must be increased
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0
|
49
|
October 13, 2021
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Geometry.Constraints when doing Geometry Optimization
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2
|
67
|
September 28, 2021
|
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Pseudopotential for Uranium
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2
|
71
|
September 18, 2021
|
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Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
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0
|
74
|
September 3, 2021
|
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Generate Relativistic pseudopotential
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1
|
289
|
August 17, 2021
|
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About OMP and MPI parallelisation
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3
|
95
|
August 16, 2021
|
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Local projected density of state using SIESTA/TranSIESTA
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6
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170
|
July 15, 2021
|
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HSE06 functionals in SIESTA
|
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1
|
209
|
July 7, 2021
|
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Cube file for non-cubic lattice
|
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3
|
218
|
June 29, 2021
|
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Transiesta calsulation not converging due to 'charge'
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|
5
|
165
|
June 29, 2021
|
|
DENCHAR Calculation
|
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1
|
136
|
June 7, 2021
|
|
Electrostatic Potential visualisation
|
|
7
|
294
|
June 3, 2021
|
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'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
|
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11
|
275
|
May 10, 2021
|
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Spin–Orbit coupling
|
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1
|
142
|
May 5, 2021
|
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Kpoints read from input
|
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3
|
225
|
February 4, 2021
|
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Calculate the BSSE correction in the van der Waals funcional
|
|
0
|
335
|
June 9, 2020
|
|
Makov Payne correcttion
|
|
2
|
519
|
May 23, 2020
|
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Error in Reading Pseudopotentials
|
|
2
|
407
|
April 17, 2020
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