[Wien] zero DOS problem...

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Wed Nov 17 17:57:06 CET 2004


> but gives the following warning message:  *WARNING** TOTAL
> ENERGY IN Ry = -37227.736296

"grep :WAR case.scf" will tell you the reason for this (probably RKMAX
reduced by NMATMAX being too small, in this case it is not related to your
DOS problem).

> The problem is when I plot the DOS, i get zero everywhere.

Just by plotting, or is the info in the case.dos* files also exactly zero?
What is given in case.outputt or (case.outputtup/dn)?

Stefaan




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