QSTEM model builder

[Leonardo Velasco]

Hello all, I am trying to use the model builder but no matter what I do, when I try to open the created model with QSTEM I get the error message like in the attached image.

I tried to build a simple model by just defining a grain, I used Al.cfg for the structure and everything looks fine, even when I export the model to xyz the VESTA software can open the file. however, when I am trying to open the model that is saved as xxxx.cfg I get the same error message. I tried with different structures by loading Si, or Au but still the same error message. additionally, I also tried to open the xyz file with vesta and export the file as an .xtl file and then convert the file with the .xtl to .cfg software but the conversion also fails.

can you please advise about this problem. I am using 64 bits windows 7 and I downloaded the matlab runtime machine

thank you very much

best regards

Leonardo Velasco 

[Leonardo Velasco]

I would like to update my post, I was looking at the .CFG files that the builder generates and compare them to the ones in the examples, I noticed that the lattice parameters in my model were wrong. I edited the .CGF file with the adequate value and now my model is working. 

thank you very much for your attention

[christo...@hu-berlin.de]

Oops, yes you are correct. There is a problem, and I have fixed this now and am recompiling the code. Once that is done I will upload the new version to qstem.org.

 

Best regards

Christoph.

 

Prof. Christoph Koch, PhD

Humboldt University of Berlin

Department of  Physics

Structure Research & Electron Microscopy group

Newtonstraße 15

12489 Berlin, Germany

Tel: +49 [30] 2093-7640

 

Secretary:  Marion Götsch

Tel: +49 [30] 2093-7652

https://www.physik.hu-berlin.de/sem

 

Advanced Structural and Chemial Imaging: http://www.ascimaging.com/

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[Christoph Koch]

An updated version of qstem (V2.31) is now available.

 

Prof. Christoph Koch, PhD

Humboldt University of Berlin

Department of  Physics

Structure Research & Electron Microscopy group

Newtonstraße 15

12489 Berlin, Germany

Tel: +49 [30] 2093-7640

 

Secretary:  Marion Götsch

Tel: +49 [30] 2093-7652

https://www.physik.hu-berlin.de/sem

 

Advanced Structural and Chemial Imaging: http://www.ascimaging.com/

 

From: qs...@googlegroups.com [mailto:qs...@googlegroups.com] On Behalf Of Leonardo Velasco
Sent: Friday, November 20, 2015 3:09 AM
To: QSTEM
Subject: [QSTEM] Re: QSTEM model builder

 

I would like to update my post, I was looking at the .CFG files that the builder generates and compare them to the ones in the examples, I noticed that the lattice parameters in my model were wrong. I edited the .CGF file with the adequate value and now my model is working. 

--

[Leonardo Velasco]

Dear Professor Koch,

Thank you very much

Best regards

Leonardo Velasco

[Mark Woodall]

Any chance that we might get the updated code merged into the github repo?

Thanks!

-Mark

On Thursday, November 19, 2015 at 9:58:56 AM UTC-8, Leonardo Velasco wrote: