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--- exercises:2015_cecam_tutorial:basis_set_optimisation_using_optimize_basis [2015/09/03 14:54] – sling
+++ exercises:2015_cecam_tutorial:basis_set_optimisation_using_optimize_basis [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 94: / Line 94: @@
 </code>
-The last column corresponds to a set of d functions with unoptimised contraction coefficients. I have also changed the second line from
+The last column corresponds to a set of d functions with unoptimised contraction coefficients. I have also changed the third line from
 <code>
@@ Line 116: / Line 116: @@
 in the main input file, see &FIT_KIND subsection.
-I have included several molecular reference calculations (NaH, NaF, NaCl, Na2O and Na3N) that have finished already. You may refer to the &TRAINING_FILES subsections in the input. You may add more reference calculations and update the input file for basis set optimisation.
+I have included several molecular reference calculations (NaH, NaF, NaCl, Na2O and Na3N) that have finished already. You may refer to the &TRAINING_FILES subsections in the input. You may also add more reference calculations and update the input file for basis set optimisation.
 The basis set optimisation calculation can be started with the following command (or using the parallel executable cp2k.popt):