Development Status of ABINIT-MP in 2023

• DOI: 10.2477/jccj.2024-0001
• Publication Date: 2024-03-19T22:12:00Z
• Authors: Yuji MOCHIZUKI; Tatsuya NAKANO; Kota SAKAKURA; Koji OKUWAKI; Hideo DOI; Toshihiro KATO; Hiroyuki TAKIZAWA; Akira NARUSE; Satoshi OHSHIMA; Tetsuya HOSHINO; Takahiro KATAGIRI

In August 2023, we released the latest version of our ABINIT-MP program, Open Version 2 Revision 8. this version, most commonly used FMO-MP2 calculations are even faster than in previous 4. It is now also possible to calculate excitation and ionization energies for regions interest. Improved interaction analysis available. addition, have started GPU-oriented modifications. preliminary report, present current status ABINIT-MP.