|
Basis Set - Numerical orbitals
|
|
0
|
315
|
November 14, 2018
|
|
Optical properties by siesta
|
|
2
|
608
|
August 7, 2020
|
|
How to calculate PDOS at a vacuum on top of a slab
|
|
1
|
341
|
June 19, 2020
|
|
Electronic Projected Density of States
|
|
2
|
1491
|
June 10, 2020
|
|
Calculate the BSSE correction in the van der Waals funcional
|
|
0
|
316
|
June 9, 2020
|
|
Stress tensor
|
|
5
|
477
|
June 1, 2020
|
|
Makov Payne correcttion
|
|
2
|
452
|
May 23, 2020
|
|
Wave function coefficients in a calculation including spin-orbit
|
|
2
|
337
|
May 6, 2020
|
|
Compilation with OpenMPI
|
|
1
|
685
|
April 18, 2020
|
|
Error in Reading Pseudopotentials
|
|
2
|
365
|
April 17, 2020
|
|
Pseudopotentials and basis sets database
|
|
3
|
757
|
March 12, 2020
|
|
Extra low basis set
|
|
4
|
468
|
March 3, 2020
|
|
Creating Basis set for VCA atom
|
|
9
|
600
|
February 6, 2020
|
|
Spin-Orbit Coupling (SOC)
|
|
3
|
458
|
December 18, 2019
|
|
Error while compiling the PSLM compatible version
|
|
1
|
535
|
June 9, 2019
|
|
Diagonalizing the Hamiltonian, Transiesta, sisl
|
|
1
|
347
|
June 5, 2019
|
|
Basis set superposition error (BSSE) and CP correction
|
|
1
|
472
|
October 31, 2018
|
|
Spin polarized calculation
|
|
1
|
963
|
November 15, 2018
|
|
Hamiltonian Eigenvalues in 4.1-b2
|
|
1
|
542
|
November 15, 2018
|
|
Hamiltionian in SIESTA
|
|
1
|
400
|
November 15, 2018
|
|
Diagonalization
|
|
1
|
349
|
November 15, 2018
|
|
Parallel Run
|
|
1
|
818
|
November 15, 2018
|
|
Mbpt-lcao
|
|
0
|
305
|
November 15, 2018
|
|
SIESTA-Lua Implementation
|
|
0
|
621
|
November 15, 2018
|
|
AiiDA
|
|
0
|
256
|
November 15, 2018
|
|
RT-siesta
|
|
0
|
442
|
November 15, 2018
|
|
sisl
|
|
0
|
364
|
November 15, 2018
|
|
Gollum
|
|
0
|
475
|
November 14, 2018
|
|
Inelastica
|
|
0
|
448
|
November 14, 2018
|
|
Transmission function
|
|
1
|
277
|
November 14, 2018
|
