[Pw_forum] Question of DOS at Ef

Lijun Zhang lijun_physics at yahoo.com.cn
Sat Jun 4 04:50:16 CEST 2005


Hi Paolo,
Thanks for your helps.
In fact I have calculated the DOS with tetrahedra method,
but I meet a problem.In scf step there is a Ef,and I integrate
the total DOS,I also get a "fermi energy" at which the integrated 
DOS is equal to the number of total electrons in cell.
But there is discrepancies between the two energy,
and there is also  discrepancies(sometimes very notable) 
between the two "DOS at Fermi energy".
Is this due to the calculation uncertainty?


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