Topics tagged basis-set

Topic	Replies	Views	Activity
How to analyze the current-induced forces after transiesta calculation? TranSIESTA fdf , basis-set , electrodes , siesta , transiesta	0	35	November 12, 2023
Homo/Lumo in transiesta TranSIESTA electrodes , hamiltonian , pdos , band-structure , basis-set	2	342	July 4, 2023
Basis set optimization Basis Set k-points , basis-set	1	379	January 23, 2023
Spherical Bessel Functions Basis Set basis-set	0	229	June 20, 2022
Basis Set - Numerical orbitals SIESTA Publications basis-set	0	588	November 14, 2018
Pseudopotentials and basis sets database Pseudopotentials and Basis Sets basis-set , pseudo	3	1535	March 12, 2020
Extra low basis set Pseudopotentials and Basis Sets basis-set	4	824	March 3, 2020
Extension of the basis functions Basis Set basis-set	1	496	October 30, 2018