Fix: wrong memory record in vkb (#4206)

dyzheng · dyzheng · web-flow · commit b3f37e167085 · 2024-05-23T09:49:49.000+08:00
Co-authored-by: dyzheng &lt;zhengdy@bjaisi.com&gt;
diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp
@@ -217,7 +217,7 @@ void pseudopot_cell_vnl::init(const int ntype,
     if (nkb > 0 && allocate_vkb)
     {
         vkb.create(nkb, npwx);
-        ModuleBase::Memory::record("VNL::vkb", nkb * npwx * sizeof(double));
+        ModuleBase::Memory::record("VNL::vkb", nkb * npwx * sizeof(std::complex<double>));
     }
 
     // this->nqx = 10000;		// calculted in allocate_nlpot.f90

Original file line number	Diff line number	Diff line change
`@@ -217,7 +217,7 @@ void pseudopot_cell_vnl::init(const int ntype,`
`217`	`217`	`if (nkb > 0 && allocate_vkb)`
`218`	`218`	`{`
`219`	`219`	`vkb.create(nkb, npwx);`
`220`		`- ModuleBase::Memory::record("VNL::vkb", nkb * npwx * sizeof(double));`
	`220`	`+ ModuleBase::Memory::record("VNL::vkb", nkb * npwx * sizeof(std::complex<double>));`
`221`	`221`	`}`
`222`	`222`
`223`	`223`	`// this->nqx = 10000; // calculted in allocate_nlpot.f90`