[Pw_forum] problem in k-points of hydrogen-graphite system

Rahmat Gunawan s305igun at mail.chem.itb.ac.id
Sat Dec 9 16:53:08 CET 2006


Dear PW_Forum

I would like to thank to Pw_forum, but I still have problem in our input,
so our output via ghostview (graphitebands.ps) is not good.

Would You like to teach us, how to write good input k-point of graphite
and hydrogen-graphite system (crystal, ibrav=4, number k-points
{crystal})?

Please help us..

Thanks very much, success for your excellent research project

Sincerely yours

Rahmat Gunawan
PostGraduate students
Lab of Theoretical Chemistry
Dept. of Chemistry
Bandung Institute of Technology
Indonesia



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