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Too many communicators error
|
|
1
|
36
|
November 23, 2021
|
|
Electronic Projected Density of States
|
|
3
|
1617
|
November 19, 2021
|
|
How does the current depend on width of the channel
|
|
6
|
65
|
November 18, 2021
|
|
Where I can get script for systematic optimization Mesh cut off ,K point
|
|
1
|
62
|
November 14, 2021
|
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Ch_overlap: the cutoff must be increased
|
|
0
|
49
|
October 13, 2021
|
|
Geometry.Constraints when doing Geometry Optimization
|
|
2
|
67
|
September 28, 2021
|
|
Background charge density and polarization using Berry phase
|
|
2
|
113
|
September 23, 2021
|
|
Pseudopotential for Uranium
|
|
2
|
71
|
September 18, 2021
|
|
Can transmission spectrum exceed 1 within bias window?
|
|
2
|
66
|
September 16, 2021
|
|
Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
|
|
0
|
74
|
September 3, 2021
|
|
About Pseudopotential optimization
|
|
0
|
83
|
August 20, 2021
|
|
Generate Relativistic pseudopotential
|
|
1
|
289
|
August 17, 2021
|
|
Error during siesta master branch installation
|
|
2
|
128
|
August 16, 2021
|
|
About OMP and MPI parallelisation
|
|
3
|
95
|
August 16, 2021
|
|
LDA pseudopotential for Carbon - good for molecules, bad for graphene?
|
|
5
|
122
|
August 5, 2021
|
|
Local projected density of state using SIESTA/TranSIESTA
|
|
6
|
170
|
July 15, 2021
|
|
HSE06 functionals in SIESTA
|
|
1
|
209
|
July 7, 2021
|
|
Cube file for non-cubic lattice
|
|
3
|
218
|
June 29, 2021
|
|
Transiesta calsulation not converging due to 'charge'
|
|
5
|
165
|
June 29, 2021
|
|
Electronic spin in Pseudopotentials (SIESTA)
|
|
2
|
203
|
June 15, 2021
|
|
DENCHAR Calculation
|
|
1
|
136
|
June 7, 2021
|
|
Electrostatic Potential visualisation
|
|
7
|
294
|
June 3, 2021
|
|
Semicore States
|
|
17
|
374
|
June 1, 2021
|
|
SIESTA School (online): "First-principles simulations of materials with SIESTA"
|
|
0
|
159
|
May 27, 2021
|
|
SIESTA utilities on Window
|
|
1
|
149
|
May 18, 2021
|
|
'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
|
|
11
|
275
|
May 10, 2021
|
|
Spin–Orbit coupling
|
|
1
|
142
|
May 5, 2021
|
|
Additional band lines in band structure
|
|
15
|
583
|
April 1, 2021
|
|
SIESTA 4.1.5 release
|
|
0
|
290
|
March 1, 2021
|
|
<< Compiling Utils using build_all script >>
|
|
1
|
204
|
February 27, 2021
|
