diff --git a/doc/faqs/faqs.rst b/doc/faqs/faqs.rst index 46eae97c..0d33ab4e 100644 --- a/doc/faqs/faqs.rst +++ b/doc/faqs/faqs.rst @@ -1,16 +1,21 @@ Frequently-Asked Questions ========================== +wien2k: FERMI ERROR when running `x lapw2 -almd -band` +------------------------------------------------------ +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? ----------------------------------