Re: kSpin(GridCalc) example gives incorrect spin texture ( No.1 ) |
- Date: 2024/11/21 19:46
- Name: Naoya Yamaguchi
- Hi,
I checked the fragments of your input file, and indeed most of the parameters are as they were. Based on that, I made the minimum amount of modification to the file name, etc., and was able to reproduce Figure 66.
In many cases, these problems are a matter of human error by the user. There may be a problem with the build of OpenMX, or at least it doesn't seem to be a problem with the input file.
Regards, Naoya Yamaguchi
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Re: kSpin(GridCalc) example gives incorrect spin texture ( No.2 ) |
- Date: 2024/11/21 22:17
- Name: Soichiro Kikuchi
- Dear Dr.Yamaguchi,
Thank you very much for your reply.
I will review the calculation process again. I would appreciate it if you could tell me how you modified the file names, etc. foe reference. In addition, I would like to know what 'the build of OpenMX' means.
Regards Soichiro Kikuchi
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Re: kSpin(GridCalc) example gives incorrect spin texture ( No.3 ) |
- Date: 2024/11/22 04:45
- Name: Naoya Yamaguchi
- Dear Kikuchi-san,
>I would appreciate it if you could tell me how you modified the file names, etc. foe reference.
Except for keywords that need to be edited to match the actual computer's situation, such as `DATA.PATH`, nothing has been changed in essence.
>Looking at the output file, we can see that some parts are displayed as 'non'.
It is thought that this is `nan` (https://ja.wikipedia.org/wiki/NaN ), but if this is the case, there is a problem with the creation of the `kSpin` or `openmx` executable file, and it is presumed that some kind of problem is occurring on your computer.
If the build is a problem, it will be necessary to carry out a detailed review, such as reviewing the compilation and linking methods.
At the very least, we confirmed that the input file bundled with OpenMX worked correctly when it was released.
Regards, Naoya Yamaguchi
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Re: kSpin(GridCalc) example gives incorrect spin texture ( No.4 ) |
- Date: 2024/11/27 01:27
- Name: Soichiro Kikuchi
- Dear Dr.Yamaguchi,
Thank you very much for your advice.
I actually redid the compilation and was able to calcurate as in the example.
And the vectors also no longer displays "non". However, I am left with the only problem that the vectors are not displayed on the figure. Is this just a problem with the plotting?
Regards, Soichiro Kikuchi
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Re: kSpin(GridCalc) example gives incorrect spin texture ( No.5 ) |
- Date: 2024/11/28 13:51
- Name: Naoya Yamaguchi
- Dear Kikuchi-san,
More specific information is needed to identify the problem. First, could you paste a list of the output files?
Regards, Naoya Yamaguchi
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Re: kSpin(GridCalc) example gives incorrect spin texture ( No.6 ) |
- Date: 2024/11/29 01:16
- Name: Soichiro Kikuchi
- Dear Dr.Yamaguchi
Thank you very much for your reply.
The problem has been successfully resolved. Thanks for the advice.
Regards, Soichiro Kikuchi
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