Bandgap of Si in GW

Description: calculation of the bandgap of Si using various flavours of GW.

---

• INCAR

• KPOINTS

• POSCAR

grep "     4     " OUTCAR | sort -n -k 3 | tail -1 | awk '{print $3}'

grep "     5     " OUTCAR | sort -n -k 3 | head -1 | awk '{print $3}'

Download

Si_bandgap_GW.tgz

---

To the list of examples or to the main page