[xcrysden] building an interfacial structure using xcrysden

Tram Bui trambui1985 at gmail.com
Wed Jan 2 21:51:46 CET 2013


Dear Xcrysden Users,

    I'm planning to build a structure that contain an interface of hzp-Zr
[0001] and fcc-ZrH [111]. I want to run some calculations for this
interfacial energy. However, I really don't know how to start. So I write
to the forum hopefully getting some suggestions from anyone that has had
experience building such interface through Xcrysden. I'd really appreciate
all the help!

Regards,
Tram
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