Today is:
Manual Pseudopotentials and orbitals Examples

 

3.4 Specific Examples

 

ABACUS allows to do various different kinds of calculations. After briefly introducing the input and output files of ABACUS, we described below with more details how to run ABACUS calculations using specific examples.
As alluded to above, ABACUS calculations can be done both with plane-wave basis and numerical atomic basis. These two types of calculations will be illustrated separately in the following.

copyright © Key Lab of Quantum Information, CAS