[Re:05] CPA not converging when srals is used?

Posted on : November 11, 2025 (Tue) 00:01:16

by Jerry Lee

By the way, is there an easy way to generate a suitable k-path for calculating the Bloch spectral function (band dispersion) directly from the structural information (i.e., brvtyp and atmicx)? The k-path generated from the *.cif file using https://seekpath.materialscloud.io/
does not seem to work well with AkaiKKR.