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Ch_overlap: the cutoff must be increased
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0
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20
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October 13, 2021
|
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Where I can get script for systematic optimization Mesh cut off ,K point
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0
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28
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October 8, 2021
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Geometry.Constraints when doing Geometry Optimization
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2
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45
|
September 28, 2021
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Background charge density and polarization using Berry phase
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2
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80
|
September 23, 2021
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Pseudopotential for Uranium
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2
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47
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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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47
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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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46
|
September 3, 2021
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About Pseudopotential optimization
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0
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57
|
August 20, 2021
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Generate Relativistic pseudopotential
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1
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260
|
August 17, 2021
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Error during siesta master branch installation
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2
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95
|
August 16, 2021
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About OMP and MPI parallelisation
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3
|
68
|
August 16, 2021
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LDA pseudopotential for Carbon - good for molecules, bad for graphene?
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5
|
104
|
August 5, 2021
|
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Local projected density of state using SIESTA/TranSIESTA
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6
|
122
|
July 15, 2021
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HSE06 functionals in SIESTA
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1
|
143
|
July 7, 2021
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Cube file for non-cubic lattice
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3
|
178
|
June 29, 2021
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Transiesta calsulation not converging due to 'charge'
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5
|
136
|
June 29, 2021
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Electronic spin in Pseudopotentials (SIESTA)
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2
|
182
|
June 15, 2021
|
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DENCHAR Calculation
|
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1
|
119
|
June 7, 2021
|
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Electrostatic Potential visualisation
|
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7
|
224
|
June 3, 2021
|
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Semicore States
|
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17
|
296
|
June 1, 2021
|
|
SIESTA School (online): "First-principles simulations of materials with SIESTA"
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0
|
138
|
May 27, 2021
|
|
SIESTA utilities on Window
|
|
1
|
115
|
May 18, 2021
|
|
'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
|
|
11
|
224
|
May 10, 2021
|
|
Spin–Orbit coupling
|
|
1
|
125
|
May 5, 2021
|
|
Additional band lines in band structure
|
|
15
|
472
|
April 1, 2021
|
|
SIESTA 4.1.5 release
|
|
0
|
256
|
March 1, 2021
|
|
<< Compiling Utils using build_all script >>
|
|
1
|
178
|
February 27, 2021
|
|
How can I get emails about responses?
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|
2
|
179
|
February 4, 2021
|
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Kpoints read from input
|
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3
|
203
|
February 4, 2021
|
|
Siesta: Recent developments and applications
|
|
0
|
279
|
September 21, 2020
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