QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Fraenzine on November 10, 2015, 14:00
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Hello,
I sometimes get a problem, when opening the lab floor.:
I select a file (for example EIGENVAL) in the project files on the left side. However some of the files do not appear on the lab floor and the right side, so I cannot select them and analyze them. I checked the file (in my case an EIGENVAL file), it seems completely ok.
In another calculation with only a slight change in the input, everything works fine...
Thank you in advance
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Could you provide an example if this issue? Preferably file(s).
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Indeed, you need to be much more specific. You said you "select a file (EIGENVAL)", but then you want "some of the files" to appear on the Lab Floor. But you only selected one file...
Not all files will correspond to any Lab Floor item, or sometimes multiple files combine to make one item. Either way, more specifics (screenshots, files, etc) are needed.
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Do you have some hidden file starting with ".#" (some emacs temporary file), or something similar in your project folder?
You can find this by typing ls -a in your terminal (if you're using linux).
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Hi,
Sorry for the confusion. I said "some of the files" because it has happened a few times, in a different project and with different files.
In one project, I have 2 bandstructure calculations and, thus, 2 EIGENVAL files. They are both the same calculations (one K-point is different only). Whe I select both EIGENVAL files (I tick the boxes on the lab floor), only one of the 2 EIGENVAL files appears on the right side (for analysis). The same is true, when I select the EIGENVAL files separately, I can open only the file from the first calculation. The file from the second calculation does not open, when I select it.
A similar thing has happened with some DOSCAR files from another project. In this project, I did optimisation and static (DOS) calculations. I can see the DOSCAR from the optimisation calculation but not from the static one.
I don't think I have a problem because of hidden files, but thanks for the idea :)
Hope I was more specific now ;)
Thank you
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For the EIGENVAL file, you must have the KPOINTS file in the same directory and it must be consistent with EIGENVAL.
But the best would be if you could send the files that don't work (really the whole subdirectory where they appear) by email, then we can very quickly figure out the problem.