Numerical issue fixed form bandgap printing in NSCF case (#1831)

Author: ouqi0711

source/src_pw/energy.cpp

@@ -519,11 +519,11 @@ void energy::cal_bandgap(const elecstate::ElecState* pelec)
 	{
 		for (int ik=0; ik<nks; ik++)
         {
-            if (!(pelec->ekb(ik,ib) > ef) && homo < pelec->ekb(ik,ib))
+            if (!(pelec->ekb(ik,ib) - this->ef > 1e-5) && homo < pelec->ekb(ik,ib))
             {
                 homo = pelec->ekb(ik,ib);
             }
-            if (pelec->ekb(ik,ib) > ef && lumo > pelec->ekb(ik,ib))
+            if (pelec->ekb(ik,ib) - this->ef > 1e-5 && lumo > pelec->ekb(ik,ib))
             {
                 lumo = pelec->ekb(ik,ib);
             }
@@ -544,19 +544,19 @@ void energy::cal_bandgap_updw(const elecstate::ElecState* pelec)
 	{
 		for (int ik=0; ik<nks; ik++)
         {
-            if (!(pelec->ekb(ik,ib) > this->ef_up) && homo_up < pelec->ekb(ik,ib))
+            if (!(pelec->ekb(ik,ib) - this->ef_up > 1e-5) && homo_up < pelec->ekb(ik,ib))
             {
                 homo_up = pelec->ekb(ik,ib);
             }
-            if (pelec->ekb(ik,ib) > this->ef_up && lumo_up > pelec->ekb(ik,ib))
+            if (pelec->ekb(ik,ib) - this->ef_up > 1e-5 && lumo_up > pelec->ekb(ik,ib))
             {
                 lumo_up = pelec->ekb(ik,ib);
             }
-			if (!(pelec->ekb(ik,ib) > this->ef_dw) && homo_dw < pelec->ekb(ik,ib))
+			if (!(pelec->ekb(ik,ib) - this->ef_dw > 1e-5) && homo_dw < pelec->ekb(ik,ib))
             {
                 homo_dw = pelec->ekb(ik,ib);
             }
-            if (pelec->ekb(ik,ib) > this->ef_dw && lumo_dw > pelec->ekb(ik,ib))
+            if (pelec->ekb(ik,ib) - this->ef_dw > 1e-5 && lumo_dw > pelec->ekb(ik,ib))
             {
                 lumo_dw = pelec->ekb(ik,ib);
             }