Pseudopotentials and Basis Sets
Pseudo Specifically about pseudopotential in SIESTA. Basis Set All you want to ask about basis set in SIESTA.
Topic | Replies | Views | Activity | |
---|---|---|---|---|
Information about SIESTA pseudopotentials and basis sets can be found here |
![]() |
0 | 293 | October 23, 2018 |
Spherical Bessel Functions |
![]() |
0 | 8 | June 20, 2022 |
Simune basis set |
![]() ![]() ![]() |
3 | 26 | June 9, 2022 |
About Pseudopotential optimization |
![]() |
0 | 162 | August 20, 2021 |
LDA pseudopotential for Carbon - good for molecules, bad for graphene? |
![]() ![]() |
5 | 237 | August 5, 2021 |
Electronic spin in Pseudopotentials (SIESTA) |
![]() ![]() |
2 | 247 | June 15, 2021 |
Semicore States |
![]() ![]() ![]() |
17 | 480 | June 1, 2021 |
Pseudopotentials and basis sets database |
![]() ![]() ![]() |
3 | 908 | March 12, 2020 |
Extra low basis set |
![]() ![]() |
4 | 569 | March 3, 2020 |
Creating Basis set for VCA atom |
![]() ![]() |
9 | 732 | February 6, 2020 |
Basis set superposition error (BSSE) and CP correction |
![]() ![]() |
1 | 580 | October 31, 2018 |
Van der Waals functional and pseudo |
![]() ![]() |
2 | 1210 | November 7, 2018 |
Energyshift and splitnorm values |
![]() ![]() |
1 | 309 | October 31, 2018 |
Extension of the basis functions |
![]() ![]() |
1 | 320 | October 30, 2018 |