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--- exercises:2019_conexs_newcastle:ex3 [2019/09/12 06:21] – [Part 4: Changing basis set] abussy
+++ exercises:2019_conexs_newcastle:ex3 [2019/09/12 09:30] – [Part 2: XAS calculations] abussy
@@ Line 181: / Line 181: @@
   &DFT
-    BASIS_SET_FILE_NAME  EMSL_BASIS_SETS ! basis set file with all-electron basis set
+    !where to find all-electron basis sets and potentials
-    POTENTIAL_FILE_NAME  POTENTIAL ! file with parameters for all-electron calculations
+    BASIS_SET_FILE_NAME  EMSL_BASIS_SETS
+    POTENTIAL_FILE_NAME  POTENTIAL
     UKS