Fix: enable combination of ncpp and uspp

YuLiu98 · YuLiu98 · commit f66f7bb66ad9 · 2024-12-26T09:20:10.000+08:00
diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp
@@ -1542,6 +1542,8 @@ void pseudopot_cell_vnl::newq(const ModuleBase::matrix& veff, const ModulePW::PW
         fact = 2.0;
     }
 
+    deeq.zero_out();
+
     const int npw = rho_basis->npw;
     ModuleBase::matrix ylmk0(lmaxq * lmaxq, npw);
     ModuleBase::YlmReal::Ylm_Real(lmaxq * lmaxq, npw, rho_basis->gcar, ylmk0);

Original file line number	Diff line number	Diff line change
`@@ -1542,6 +1542,8 @@ void pseudopot_cell_vnl::newq(const ModuleBase::matrix& veff, const ModulePW::PW`
`1542`	`1542`	`fact = 2.0;`
`1543`	`1543`	`}`
`1544`	`1544`
	`1545`	`+ deeq.zero_out();`
	`1546`	`+`
`1545`	`1547`	`const int npw = rho_basis->npw;`
`1546`	`1548`	`ModuleBase::matrix ylmk0(lmaxq * lmaxq, npw);`
`1547`	`1549`	`ModuleBase::YlmReal::Ylm_Real(lmaxq * lmaxq, npw, rho_basis->gcar, ylmk0);`