Add small table

16e8ca80 · Alejandro Gallo · 430717cb · 16e8ca80
Commit 16e8ca80 authored 3 years ago by Alejandro Gallo 🐒
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h2o/dz/README.org h2o/dz/README.org +9 -0

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--- a/h2o/dz/README.org
+++ b/h2o/dz/README.org
+| Name         | Value        |
+|--------------+--------------|
+| scf          | Hartree-Fock |
+| scf-orbitals | restricted   |
+| occupied     | 4            |
+| virtual      | 36           |
+| basis        | aug-cc-pvdz  |
+
 * Water molecule in DZ basis

 This system contains a water molecule calculated with the code
@@ -15,6 +23,7 @@ are
  - =./EigenEnergies.dat=


+
 ** NWCHEM input
 :PROPERTIES:
 :CUSTOM_ID: nwchem-input