TOMBO Ver.2 Manual
TOMBO
TOMBO
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
A.3 *.cell file 67<br />
Fig. A.5 CASTEP Calculation<br />
Step 3<br />
In "CASTEP Electronic Options", choose " Electronic", click "Custom grid parameters",<br />
and set a, b and c of k-points in "Grid parameters" using Monkhorst-Pack grid.<br />
Fig. A.6 CASTEP Electronic Options