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Material file missed for Niobium #9

Closed mingminwang closed 7 years ago

mingminwang commented 7 years ago

I cannot run OpenXY for my material (niobium) since the material file for Niobium is missed in "OpenXY/Code/Materials folder".

Does anyone know how to make a material file for niobium? (I could not find the Fhkl for Niobium)

Thanks a lot!

Mingminn

eretnek commented 7 years ago

There's a way to make a new file in the GUI, but it's just as easy to add a new text file in \Code\Materials. Just open up tantalum.txt and use it as a template. The Fhkls are only for the relative intensities of bands when using kinematic simulated patterns and the method isn't terribly sensitive to them, so you can just copy tantalum's info if you don't want to calculate them yourself.

Also, niobium and tantalum are so close, whenever I look at niobium I just tell OpenXY to consider it to be tantalum.

On Tue, Feb 14, 2017 at 4:08 PM, mingminwang notifications@github.com wrote:

I cannot run OpenXY for my material (niobium) since the material file for Niobium is missed in "OpenXY/Code/Materials folder".

Does anyone know how to make a material file for niobium? (I could not find the Fhkl for Niobium)

Thanks a lot!

Mingminn

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mingminwang commented 7 years ago

Thank you!

On Tue, Feb 14, 2017 at 4:55 PM, Brian Jackson notifications@github.com wrote:

Mingminn, Sorry, we haven't done any work with Niobium and the OIM software doesn't have any Fhkl parameters for Niobium. Once you find the data you need, feel free to reach out to us if you have any further questions about using OpenXY!

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Mingmin Wang, Ph.D. student Office 3526 Engineering Bldg. phone 517-775-3469

Department of Chemical Engineering and Materials Science 428 South Shaw Lane, 2100 Engineering Bldg. Michigan State University East Lansing, Michigan 48824-1226