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- From: ilyes.hamdi@fst.rnu.tn
- To: forum@abinit.org
- Subject: Re: RF calculation on wurtzite structure
- Date: Wed, 13 Oct 2004 23:41:31 +0200
Dear Chun-Li
you must do the ddk calculation for c direction because the W structure is
not isotropic like cubic phase, so you must set "rfdir2 1 0 1"
"By the way, do you think the optimized wurtzite structure should be used
in the calculations?" yes I think so, if you would like to get the phonon at
equilibrium geometry
good luck
- RF calculation on wurtzite structure, Chun Li , 10/10/2004
- <Possible follow-up(s)>
- Re: RF calculation on wurtzite structure, ilyes . hamdi, 10/13/2004
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