Test: correct the INPUT of examples/scf/lcao_Cu and the reference of …

…examples/bsse/water (#5536) Co-authored-by: root <pxlxingliang> Co-authored-by: kirk0830 <[email protected]>
deepmodeling · Nov 21, 2024 · c650aa8 · c650aa8
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diff --git a/examples/bsse/water/result.ref b/examples/bsse/water/result.ref
@@ -1,5 +1,5 @@
--13.31798074740440
-E_H2O: -466.1225988776397
-E_O: -427.6271689751553
-E_H1: -12.58872469295076
-E_H2: -12.58872446212924
+-13.49968292248493
+E_H2O: -466.1225988772539
+E_O: -427.5222287307378
+E_H1: -12.55034372743879
+E_H2: -12.55034349659238
diff --git a/examples/scf/lcao_Cu/INPUT b/examples/scf/lcao_Cu/INPUT
@@ -4,7 +4,6 @@ orbital_dir                 ../../../tests/PP_ORB
 nbands		10
 
 calculation	scf
-ecutwfc		100 
 ecutwfc		100 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
 scf_thr		1.0e-8
 scf_nmax	100