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--- howto:pao-ml [2018/01/25 00:23] – [Tuning the PAO Optimization] oschuett
+++ howto:pao-ml [2018/01/27 14:07] – oschuett
@@ Line 55: / Line 55: @@
 ==== Tuning the PAO Optimization =====
-Find the optimal PAO basis poses an intricate minimization problem, because the rotation matrix U and the Kohn-Sham
+Finding the optimal PAO basis poses an intricate minimization problem, because the rotation matrix U and the Kohn-Sham
 matrix H have to be optimized in a self-consistent manner. In order to speedup the optimization, the Kohn-Sham matrix is only updated occasionally while most time is spend on optimizing U. This alternating scheme is controlled by two input parameters:
   * The frequency with which H is recalculated is determined by [[inp>FORCE_EVAL/DFT/LS_SCF/PAO#list_MAX_CYCLES|MAX_CYCLES]].