Merge pull request #1336 from pxlxingliang/wfc

Docs: fix the INPUT of wfc/lcao_ienvelope_Si2
deepmodeling · Sep 28, 2022 · bcfb4c6 · bcfb4c6
2 parents 91d9b3d + a514be3
commit bcfb4c6
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diff --git a/examples/wfc/lcao_ienvelope_Si2/INPUT1 b/examples/wfc/lcao_ienvelope_Si2/INPUT1
@@ -13,4 +13,4 @@ ecutwfc                         50
 scf_thr                         1.0e-7  // about iteration
 scf_nmax			100
 #Parameters (File)
-out_chg				1
+out_wfc_lcao				1
diff --git a/examples/wfc/lcao_ienvelope_Si2/INPUT2 b/examples/wfc/lcao_ienvelope_Si2/INPUT2
@@ -10,8 +10,6 @@ basis_type                      lcao
 symmetry                        0       
 #Parameters (Accuracy)
 ecutwfc                         50
-scf_thr                         1.0e-7  // about iteration
-scf_nmax			100
 #Parameters (File)
-init_chg			file
+init_wfc			file
 out_wfc_r			1