[Pw_forum] A little energy gap (~ 0.2 eV) for graphene
tfcao at theory.issp.ac.cn
Tue May 22 11:07:33 CEST 2012
I use the rectangular cell because I want to simulate STM image of hydrogen clusters on graphene. And I want to compare the DOS of graphene with hydrogenated graphene. I set the magnetic moment to graphene in order to separate the spin-up and spin-down DOS.
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