Fix: Meta-GGA error

dyzheng · dyzheng · commit 52203c37df29 · 2022-07-25T03:04:29.000Z
diff --git a/source/module_hamilt/hamilt_pw.cpp b/source/module_hamilt/hamilt_pw.cpp
@@ -19,6 +19,7 @@ HamiltPW::HamiltPW()
 {
     this->classname = "HamiltPW";
     const double tpiba2 = GlobalC::ucell.tpiba2;
+    const double tpiba = GlobalC::ucell.tpiba;
     const int* isk = GlobalC::kv.isk.data();
     const double* gk2 = GlobalC::wfcpw->gk2;
 
@@ -71,7 +72,7 @@ HamiltPW::HamiltPW()
         }
     }
     Operator* meta = new Meta<OperatorPW>(
-        tpiba2,
+        tpiba,
         isk,
         &GlobalC::pot.vofk,
         GlobalC::wfcpw

Original file line number	Diff line number	Diff line change
`@@ -19,6 +19,7 @@ HamiltPW::HamiltPW()`
`19`	`19`	`{`
`20`	`20`	`this->classname = "HamiltPW";`
`21`	`21`	`const double tpiba2 = GlobalC::ucell.tpiba2;`
	`22`	`+ const double tpiba = GlobalC::ucell.tpiba;`
`22`	`23`	`const int* isk = GlobalC::kv.isk.data();`
`23`	`24`	`const double* gk2 = GlobalC::wfcpw->gk2;`
`24`	`25`
`@@ -71,7 +72,7 @@ HamiltPW::HamiltPW()`
`71`	`72`	`}`
`72`	`73`	`}`
`73`	`74`	`Operator* meta = new Meta<OperatorPW>(`
`74`		`- tpiba2,`
	`75`	`+ tpiba,`
`75`	`76`	`isk,`
`76`	`77`	`&GlobalC::pot.vofk,`
`77`	`78`	`GlobalC::wfcpw`