|
Kpoints read from input
|
|
3
|
249
|
February 4, 2021
|
|
Siesta: Recent developments and applications
|
|
0
|
331
|
September 21, 2020
|
|
The SIESTA method; developments and applicability
|
|
0
|
269
|
September 21, 2020
|
|
Performance Analysis of Electronic Structure Codes on HPC Systems: A Case Study of SIESTA
|
|
0
|
277
|
September 21, 2020
|
|
Basis Set - Numerical orbitals
|
|
0
|
387
|
November 14, 2018
|
|
Optical properties by siesta
|
|
2
|
778
|
August 7, 2020
|
|
How to calculate PDOS at a vacuum on top of a slab
|
|
1
|
419
|
June 19, 2020
|
|
Electronic Projected Density of States
|
|
2
|
1684
|
June 10, 2020
|
|
Calculate the BSSE correction in the van der Waals funcional
|
|
0
|
376
|
June 9, 2020
|
|
Stress tensor
|
|
5
|
536
|
June 1, 2020
|
|
Makov Payne correcttion
|
|
2
|
536
|
May 23, 2020
|
|
Wave function coefficients in a calculation including spin-orbit
|
|
2
|
379
|
May 6, 2020
|
|
Compilation with OpenMPI
|
|
1
|
831
|
April 18, 2020
|
|
Error in Reading Pseudopotentials
|
|
2
|
461
|
April 17, 2020
|
|
Pseudopotentials and basis sets database
|
|
3
|
858
|
March 12, 2020
|
|
Extra low basis set
|
|
4
|
557
|
March 3, 2020
|
|
Creating Basis set for VCA atom
|
|
9
|
710
|
February 6, 2020
|
|
Spin-Orbit Coupling (SOC)
|
|
3
|
496
|
December 18, 2019
|
|
Error while compiling the PSLM compatible version
|
|
1
|
626
|
June 9, 2019
|
|
Diagonalizing the Hamiltonian, Transiesta, sisl
|
|
1
|
423
|
June 5, 2019
|
|
Basis set superposition error (BSSE) and CP correction
|
|
1
|
561
|
October 31, 2018
|
|
Spin polarized calculation
|
|
1
|
1151
|
November 15, 2018
|
|
Hamiltonian Eigenvalues in 4.1-b2
|
|
1
|
612
|
November 15, 2018
|
|
Hamiltionian in SIESTA
|
|
1
|
455
|
November 15, 2018
|
|
Diagonalization
|
|
1
|
395
|
November 15, 2018
|
|
Parallel Run
|
|
1
|
974
|
November 15, 2018
|
|
Mbpt-lcao
|
|
0
|
357
|
November 15, 2018
|
|
SIESTA-Lua Implementation
|
|
0
|
695
|
November 15, 2018
|
|
AiiDA
|
|
0
|
292
|
November 15, 2018
|
|
RT-siesta
|
|
0
|
490
|
November 15, 2018
|