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lines changed Original file line number Diff line number Diff line change @@ -519,7 +519,7 @@ void energy::cal_bandgap(const elecstate::ElecState* pelec)
519519 {
520520 for (int ik=0 ; ik<nks; ik++)
521521 {
522- if (pelec->ekb (ik,ib) < ef && homo < pelec->ekb (ik,ib))
522+ if (!( pelec->ekb (ik,ib) > ef) && homo < pelec->ekb (ik,ib))
523523 {
524524 homo = pelec->ekb (ik,ib);
525525 }
@@ -544,15 +544,15 @@ void energy::cal_bandgap_updw(const elecstate::ElecState* pelec)
544544 {
545545 for (int ik=0 ; ik<nks; ik++)
546546 {
547- if (pelec->ekb (ik,ib) < this ->ef_up && homo_up < pelec->ekb (ik,ib))
547+ if (!( pelec->ekb (ik,ib) > this ->ef_up ) && homo_up < pelec->ekb (ik,ib))
548548 {
549549 homo_up = pelec->ekb (ik,ib);
550550 }
551551 if (pelec->ekb (ik,ib) > this ->ef_up && lumo_up > pelec->ekb (ik,ib))
552552 {
553553 lumo_up = pelec->ekb (ik,ib);
554554 }
555- if (pelec->ekb (ik,ib) < this ->ef_dw && homo_dw < pelec->ekb (ik,ib))
555+ if (!( pelec->ekb (ik,ib) > this ->ef_dw ) && homo_dw < pelec->ekb (ik,ib))
556556 {
557557 homo_dw = pelec->ekb (ik,ib);
558558 }
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