Update lcao_before_scf.cpp

1041176461 · web-flow · commit ba09ba9eabbb · 2024-11-04T15:50:32.000+08:00
diff --git a/source/module_esolver/lcao_before_scf.cpp b/source/module_esolver/lcao_before_scf.cpp
@@ -211,11 +211,11 @@ void ESolver_KS_LCAO<TK, TR>::before_scf(const int istep)
 #ifdef __EXX // set xc type before the first cal of xc in pelec->init_scf
     if (GlobalC::exx_info.info_ri.real_number)
     {
-        this->exd->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, this->pv, orb_);
+        this->exd->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, orb_);
     }
     else
     {
-        this->exc->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, this->pv, orb_);
+        this->exc->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, orb_);
     }
 #endif // __EXX
 

Original file line number	Diff line number	Diff line change
`@@ -211,11 +211,11 @@ void ESolver_KS_LCAO<TK, TR>::before_scf(const int istep)`
`211`	`211`	`#ifdef __EXX // set xc type before the first cal of xc in pelec->init_scf`
`212`	`212`	`if (GlobalC::exx_info.info_ri.real_number)`
`213`	`213`	`{`
`214`		`- this->exd->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, this->pv, orb_);`
	`214`	`+ this->exd->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, orb_);`
`215`	`215`	`}`
`216`	`216`	`else`
`217`	`217`	`{`
`218`		`- this->exc->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, this->pv, orb_);`
	`218`	`+ this->exc->exx_beforescf(istep, this->kv, *this->p_chgmix, GlobalC::ucell, orb_);`
`219`	`219`	`}`
`220`	`220`	`#endif // __EXX`
`221`	`221`