Powder Diffraction pattern by vesta

[David Kovaceva]

Hello, i created a new structure ,namely silver, and try to run powder diffraction pattern by pressing the proper button in utilities (i have install

RIETAN-FP·VENUS Package) . The program starts to run but it finishes saying that rietan stopped because of an error. The program says that npat =5 can't be allowed.

Is there any suggestion to make the program works?

In attachment the lst file

thank you

[David Kovaceva]

Sorry again, maybe i have to change somethinf inside the file template.ins. I don't have igor pro installed on my SO, coulb be this the problem?

[Koichi Momma]

The file format of RIETAN-FP has been slightly changed lately and you have to use a new template file when exporting structure data.
In the preferences dialog box of VESTA, click "Brows" button and select "RIETAN_VENUS_examples/Fapatite/Fapatite.ins" as a "Template (*.ins)". The file "Fapatite.ins" is included in the archive of RIETAN-FP.

As of RIETAN-FP v2.31, it can produce PDF files of powder diffraction pattern, so you don't need Igor Pro.
For more details of the procedures to produce PDF files and/or Igor Pro files (*.itx), please refer the users manual and example files of the latest RIETAN-FP.

I am now preparing new version of VESTA that works well in combination with the latest RIETAN-FP.
With VESTA ver. 3.1.8, you will be able to view pdf files of powder diffraction patters seamlessly from a menu of VESTA.

I still need several more days for testing and other issues.
So Please wait for a while.

Best regards,
Koichi


David Kovaceva wrote,On (1/20/14, 9:57 PM):

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--
Koichi Momma
National Museum of Nature and Science
4-1-1, Amakubo, Tsukuba, Ibaraki 305-0005, Japan
TEL: +81-(0)29-853-8163
FAX: +81-(0)29-853-8998
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[David Kovaceva]

Hello, thank you for your answer.
I tried as you said (using fepatine.ins), but rietan gives me another error.
In attachment the .lst file.

Thank you for your help

Regards

[David Kovaceva]

Hello again still there is no suggestion for my problem? I can't dispòay the XRD patter even using the fepatine.ins

thank you

On Thursday, January 16, 2014 3:12:00 PM UTC+1, David Kovaceva wrote:

[Koichi Momma]

Did you try using the latest VESTA 3.1.8?


David Kovaceva wrote,On (1/29/14, 10:20 PM):

[David Kovaceva]

Sorry man, it works perfectly now!
Thank you so much

On Thursday, January 16, 2014 3:12:00 PM UTC+1, David Kovaceva wrote: