TOMBO Ver.2 Manual
TOMBO
TOMBO
Create successful ePaper yourself
Turn your PDF publications into a flip-book with our unique Google optimized e-Paper software.
3.5 SPOINT.inp 43<br />
Table 3.11 SPOINT.inp for LDA of Si<br />
line 1 Direct<br />
line 2 2<br />
line 3 0.2500000 0.2500000 0.2500000 1.00<br />
line 4 0.2500000 0.2500000 -0.2500000 3.00<br />
Table 3.12 is SPOINT.inp for a one-shot GW calculation<br />
Table 3.12 SPOINT.inp for one-shot GW of rutile TiO 2<br />
line 1 Direct<br />
line 2 24<br />
line 3 0.40000000 0.40000000 0.43750000 0.04000000<br />
line 4 0.40000000 0.40000000 0.31250000 0.04000000<br />
line 5 0.40000000 0.40000000 0.18750000 0.04000000<br />
line 6 0.40000000 0.40000000 0.06250000 0.04000000<br />
line 7 0.40000000 0.20000000 0.43750000 0.08000000<br />
line 8 0.40000000 0.20000000 0.31250000 0.08000000<br />
line 9 0.40000000 0.20000000 0.18750000 0.08000000<br />
line 10 0.40000000 0.20000000 0.06250000 0.08000000<br />
line 11 0.40000000 0.00000000 0.43750000 0.04000000<br />
line 12 0.40000000 0.00000000 0.31250000 0.04000000<br />
line 13 0.40000000 0.00000000 0.18750000 0.04000000<br />
line 14 0.40000000 0.00000000 0.06250000 0.04000000<br />
line 15 0.20000000 0.20000000 0.43750000 0.04000000<br />
line 16 0.20000000 0.20000000 0.31250000 0.04000000<br />
line 17 0.20000000 0.20000000 0.18750000 0.04000000<br />
line 18 0.20000000 0.20000000 0.06250000 0.04000000<br />
line 19 0.20000000 0.00000000 0.43750000 0.04000000<br />
line 20 0.20000000 0.00000000 0.31250000 0.04000000<br />
line 21 0.20000000 0.00000000 0.18750000 0.04000000<br />
line 22 0.20000000 0.00000000 0.06250000 0.04000000<br />
line 23 0.00000000 0.00000000 0.43750000 0.01000000<br />
line 24 0.00000000 0.00000000 0.31250000 0.01000000<br />
line 25 0.00000000 0.00000000 0.18750000 0.01000000<br />
line 26 0.00000000 0.00000000 0.06250000 0.01000000