Data to "Assessment of post-SCF Methods with Localized Basis Sets for Periodi...
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https://b2find.eudat.eu/dataset/428d819d-a810-5c86-905b-9ed168971254
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资源简介：
The data contains two archives: One containing all files to calculate the FCIDUMP files in CP2K, and the remaining input and output files of the FCIQMC calculations using NECI,...
