Dear all,
I am experimentalist i wanted to know how how to calculate semiconducting
properties of non-periodic systems. I have synthesized benzothiazole
derivatives using
very less expensive method and i am interested in some theoretical calculation.
I know how to calculate semiconducting propertes for graphene like system using
siesta.
But i donot know how to construct fdf file for crystal structure or non
periodic systems.
Can any body send .fdf file for non-periodic systems.?
Can anybody help?
I am great full to you
Thanking you
John
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