[Wien] more on LAPW2 weight and Fermi

Igor I Mazin imazin2 at gmu.edu
Wed Dec 11 18:47:47 CET 2019


I have been able to locate the source of the error. The weight files 
generated by lapw2 are supposed to have the actual value of EF in the 
first line. With the TETRA or GAUSS choices, they do. With the TEMP 
choice, they are displaced by exactly 30*T. Correspondingly, JOINT uses 
a wrong Fermi energy.


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