[Pw_forum] problem in k-points of hydrogen-graphite system
akohlmey at cmm.chem.upenn.edu
Sun Dec 10 02:00:23 CET 2006
On Sat, 9 Dec 2006, Rahmat Gunawan wrote:
RG> Dear PW_Forum
RG> I would like to thank to Pw_forum, but I still have problem in our input,
RG> so our output via ghostview (graphitebands.ps) is not good.
please explain in which way you deem the results to be not good.
RG> Would You like to teach us, how to write good input k-point of graphite
RG> and hydrogen-graphite system (crystal, ibrav=4, number k-points
please post an input example and explain what you want to achieve.
none of us here can see what you have tried and why you think it
may have failed.
RG> Please help us..
please help _us_ to help you.
RG> Thanks very much, success for your excellent research project
RG> Sincerely yours
RG> Rahmat Gunawan
RG> PostGraduate students
RG> Lab of Theoretical Chemistry
RG> Dept. of Chemistry
RG> Bandung Institute of Technology
RG> Pw_forum mailing list
RG> Pw_forum at pwscf.org
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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