|
Semicore States
|
|
17
|
1944
|
June 1, 2021
|
|
Additional band lines in band structure
|
|
15
|
1500
|
April 1, 2021
|
|
'Exceeded job memory limit' when using NonCollinearSpin and DM.InitSpin (Siesta)
|
|
11
|
1414
|
May 10, 2021
|
|
Creating Basis set for VCA atom
|
|
9
|
1157
|
February 6, 2020
|
|
Electronic Projected Density of States
|
|
2
|
2573
|
June 10, 2020
|
|
Electrostatic Potential visualisation
|
|
7
|
1392
|
June 3, 2021
|
|
Time-Dependent Density Functional Theory (TDDFT)
|
|
1
|
2740
|
November 7, 2018
|
|
Van der Waals functional and pseudo
|
|
2
|
2175
|
November 7, 2018
|
|
sisl
|
|
0
|
661
|
November 15, 2018
|
|
Plotting the band structure
|
|
1
|
2618
|
November 7, 2018
|
|
LDA+U in SIESTA
|
|
1
|
1469
|
November 7, 2018
|
|
Pseudopotentials and basis sets database
|
|
3
|
1818
|
March 12, 2020
|
|
Convergence issues
|
|
1
|
2461
|
October 29, 2018
|
|
Parallel Run
|
|
3
|
1685
|
November 8, 2022
|
|
Density of States & Projected Density of States
|
|
1
|
2362
|
November 7, 2018
|
|
Transiesta calsulation not converging due to 'charge'
|
|
5
|
1272
|
June 29, 2021
|
|
Fatbands in SIESTA
|
|
1
|
2159
|
November 7, 2018
|
|
Spin polarized calculation
|
|
1
|
2076
|
November 15, 2018
|
|
LDA pseudopotential for Carbon - good for molecules, bad for graphene?
|
|
5
|
1149
|
August 5, 2021
|
|
Optical properties by siesta
|
|
2
|
1608
|
August 7, 2020
|
|
The eggbox-effect in DFT calculations
|
|
1
|
1903
|
October 29, 2018
|
|
Stress tensor
|
|
5
|
1081
|
June 1, 2020
|
|
Electrodes set up
|
|
1
|
1738
|
November 13, 2018
|
|
Hybrid Functionals in SIESTA
|
|
1
|
1641
|
November 7, 2018
|
|
MeshCutoff option
|
|
1
|
1553
|
October 29, 2018
|
|
Band Structure Calculation
|
|
1
|
1542
|
November 6, 2018
|
|
Lattice Constant and bulk modulus
|
|
1
|
1496
|
November 6, 2018
|
|
Hamiltonian Eigenvalues in 4.1-b2
|
|
2
|
1202
|
December 27, 2023
|
|
Compilation with OpenMPI
|
|
1
|
1470
|
April 18, 2020
|
|
Extra low basis set
|
|
4
|
923
|
March 3, 2020
|
|
Local projected density of state using SIESTA/TranSIESTA
|
|
6
|
776
|
July 15, 2021
|
|
HSE06 functionals in SIESTA
|
|
1
|
1441
|
July 7, 2021
|
|
How to calculate PDOS at a vacuum on top of a slab
|
|
1
|
742
|
June 19, 2020
|
|
Van der Waals exchange-correlation functional
|
|
1
|
1250
|
November 7, 2018
|
|
GW Approximation in SIESTA
|
|
1
|
1247
|
November 7, 2018
|
|
Makov Payne correcttion
|
|
2
|
1010
|
May 23, 2020
|
|
chenn0a
|
|
0
|
306
|
July 29, 2022
|
|
Error in Reading Pseudopotentials
|
|
2
|
988
|
April 17, 2020
|
|
Convergence
|
|
1
|
1184
|
November 14, 2018
|
|
What is the best option to install SIESTA's dependencies?
|
|
4
|
737
|
August 2, 2022
|
|
Band Structure Unfolding
|
|
1
|
1128
|
November 7, 2018
|
|
Spin-Orbit Coupling (SOC)
|
|
3
|
771
|
December 18, 2019
|
|
Error while compiling the PSLM compatible version
|
|
1
|
1080
|
June 9, 2019
|
|
SIESTA Versions
|
|
1
|
982
|
November 12, 2018
|
|
Error during siesta master branch installation
|
|
2
|
789
|
August 16, 2021
|
|
TranSIESTA input file
|
|
1
|
920
|
November 13, 2018
|
|
Hamiltionian in SIESTA
|
|
1
|
911
|
November 15, 2018
|
|
Basis set superposition error (BSSE) and CP correction
|
|
1
|
906
|
October 31, 2018
|
|
Number of k-points used in a SIESTA calculation
|
|
1
|
891
|
October 29, 2018
|
|
TranSIESTA Electrodes
|
|
1
|
851
|
November 13, 2018
|