28 lines
470 B
ReStructuredText
28 lines
470 B
ReStructuredText
.. _basis_tut:
|
|
|
|
Basis Function Tutorials
|
|
========================
|
|
|
|
We now introduce details of the basis sets used in CONQUEST, and how
|
|
they are specified and optimised.
|
|
|
|
.. _basis_tut_mssf:
|
|
|
|
MSSF: local filter diagonalisation
|
|
----------------------------------
|
|
|
|
* Parameters that are needed
|
|
* The output
|
|
* Files in ``Basis_sets_1``
|
|
|
|
.. _basis_tut_mssf_opt:
|
|
|
|
MSSF: Optimisation
|
|
------------------
|
|
|
|
* Parameters that are needed
|
|
* The output
|
|
* Files in ``Basis_sets_2``
|
|
|
|
|