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Priyanka Seth 2015-04-23 11:04:12 +02:00
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doc/faqs/faqs.rst
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Frequently-Asked Questions
==========================
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`.
A hack solution is as follows:
1) `x lapw1 -band`
2) edit in2 file: replace 'TOT' with 'QTL', 'TETRA' with 'ROOT'
3) `x lapw2 -almd -band`
4) `dmftproj -band` (add the fermi energy to file, it can be found by running `grep :FER *.scf`)
How do I do ..this..?
---------------------
This is how you do this.
How do I do ..this.. correctly?
-------------------------------
Correctly is subjective.
Why is my calculation not working?
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