Overlap integrals of two atomic orbitals |
- Date: 2022/07/19 10:25
- Name: Zhufeng Hou
- Dear Developer of Openmx,
Would you please let me know which subroutine in the source code of Openmx was written to compute the overlap integrals of two atomic orbitals (i.e., Eq.43 in the document of http://www.openmx-square.org/tech_notes/tech1-1_2.pdf)? Thank you very much in advance.
I just seached 'overlap integrals' using "grep". In the "truncation.c", "Set_RMI()" seems to be related to what I want, but not exactly.
Best regards,
Zhufeng Hou
| |
This thread is locked.Only browsing is available.
Re: Overlap integrals of two atomic orbitals