[CP2K-user] [CP2K:16894] Get the eigenvalue & eigenvector from KS matrix

Peng Gao ghifi37 at gmail.com
Wed Apr 27 03:01:08 UTC 2022


I obtained the KS matrix by KS_CSR_WRITE, and want to get the eigenvalue & 
eigenvector from KS matrix. Does anyone know which tool can achieve the 

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