AkaiKKR is the world's first software that implements first-principles calculations and band calculations within the framework of the Coherent Potential Approximation (CPA). The origins of AkaiKKR date back to the 1970s, making it a longstanding piece of software. Despite its age, it still stands as a unique tool at the forefront of both research and industry. The software is actively updated by a group led by Dr. Hisazumi Akai, member of Academeia Co.,Ltd. "AkaiKKR employs a computational method known as the KKR-CPA method. This technique is a combination of the all-electron calculation using Green's functions — also known as the KKR method or Green's function method — proposed by Korringa in 1947 and Kohn-Rostocker in 1954, and the Coherent Potential Approximation (CPA). The CPA effectively reduces the complexity of material irregularities to the problem of a single impurity atom in a regular effective medium, making it highly compatible with the KKR method's approach. Unlike other material calculation methods, the design of AkaiKKR begins with the assumption that materials are inherently complex. This approach enables lighter computations for complex targets compared to other methods.

Installation is free!

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Service Offerings

Academeia offers the following services for AkaiKKR. Please feel free to contact us through the Contact Us link below.