Update example

BoothGroup · Feb 26, 2024 · 63b5ac0 · 63b5ac0
1 parent 0631283
commit 63b5ac0
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/examples/ewf/molecules/42-fci-incluster-moments.py b/examples/ewf/molecules/42-fci-incluster-moments.py
@@ -12,16 +12,16 @@
 H  0.0000   0.7572  -0.4692
 H  0.0000  -0.7572  -0.4692
 """
-mol.basis = "cc-pVDZ"
+mol.basis = "sto-6g"
 mol.output = "pyscf.txt"
 mol.build()
 
 # Hartree-Fock
 mf = pyscf.scf.RHF(mol)
 mf.kernel()
 
-# Embedded CCSD
-emb = vayesta.ewf.EWF(mf, bath_options=dict(threshold=1e-6), solver_options=dict(n_moments=(5, 4), solve_lambda=True))
+# Embedded FCI
+emb = vayesta.ewf.EWF(mf, solver='FCI', bath_options=dict(threshold=1e-6), solver_options=dict(n_moments=(5, 4)))
 emb.kernel()
 
 # Reference full system CCSD: