Case / Article
Electrochemical reaction analysis using density functional calculation + implicit solvation model 2
ISSP Activity Report 2020, p. 71-72…Read More
now 323 Apps
Inquiry / Application RequestOpen-source program for first-principles calculation based on pseudo-potential and plane-wave basis. This package performs electronic-state calculation with high accuracy based on density functional theory. In addition to basic-set programs, many core-packages and plugins are included. This package can be utilized for academic research and industrial development, and also supports parallel computing.
ISSP Activity Report 2020, p. 71-72…Read More