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27 lines
904 B
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Frequently-Asked Questions
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==========================
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wien2k: FERMI ERROR when running `x lapw2 -almd -band`
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In some versions of Wien2k, there is a problem in running `x lapw2 -almd -band`.
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A hack solution is as follows:
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1) `x lapw1 -band`
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2) edit in2 file: replace 'TOT' with 'QTL', 'TETRA' with 'ROOT'
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3) `x lapw2 -almd -band`
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4) `dmftproj -band` (add the fermi energy to file, it can be found by running `grep :FER *.scf`)
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How do I plot the output of `spaghettis`?
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In python, you can do the following for example. You should pass the name of
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the file written out by the spaghettis function. Of course, you should change
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the parameters as desired.
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.. literalinclude:: plotting_spaghettis.py
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Why is my calculation not working?
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Are you running in the right shell?
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