[Wien] total DOS error message
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Thu Oct 21 08:32:58 CEST 2004
> yes, when I look to the line 1346 in the qtlup file there are ******.
>
> However, in the file qtldn everything is OK.
>
> How can I get a solution to this problem?
You need to change Energy-parameters or add a LO for the respective orbital
which gives the problems.
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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