vasprun.xml

[hacret]

I want to draw a band and dos at the same time with p4vasp.
But vasprun.xml don't represent total DOS even if local DOS exist.
why??

<dos>
<i name="efermi"> 0.00000000</i>
<total>
<array>
<dimension dim="1">gridpoints</dimension>
<dimension dim="2">spin</dimension>
<field>energy</field>
<field>total</field>
<field>integrated</field>
<set>
<set comment="spin 1">
<r> -18.6953 0.0000 0.0000 </r>
<r> -18.5955 0.0000 0.0000 </r>
<r> -18.4957 0.0000 0.0000 </r>
<r> -18.3959 0.0000 0.0000 </r>
<r> -18.2961 0.0000 0.0000 </r>
<r> -18.1963 0.0000 0.0000 </r>
<r> -18.0965 0.0000 0.0000 </r>
<r> -17.9967 0.0000 0.0000 </r>
<r> -17.8969 0.0000 0.0000 </r>
<r> -17.7971 0.0000 0.0000 </r>
<r> -17.6973 0.0000 0.0000 </r>
<r> -17.5975 0.0000 0.0000 </r>
<r> -17.4977 0.0000 0.0000 </r>
<r> -17.3979 0.0000 0.0000 </r>
<r> -17.2981 0.0000 0.0000 </r>
<r> -17.1983 0.0000 0.0000 </r>


:
:
:

<r> 10.6461 0.0000 0.0000 </r>
<r> 10.7459 0.0000 0.0000 </r>
<r> 10.8457 0.0000 0.0000 </r>
<r> 10.9455 0.0000 0.0000 </r>
<r> 11.0453 0.0000 0.0000 </r>
<r> 11.1451 0.0000 0.0000 </r>
<r> 11.2449 0.0000 0.0000 </r>
</set>
</set>
</array>
</total>
<partial>
<array>
<dimension dim="1">gridpoints</dimension>
<dimension dim="2">spin</dimension>
<dimension dim="3">ion</dimension>
<field>energy</field>
<field> s</field>
<field> py</field>
<field> pz</field>
<field> px</field>
<field>dxy</field>
<field>dyz</field>
<field>dz2</field>
<field>dxz</field>
<field>dx2</field>
<set>
<set comment="ion 1">
<set comment="spin 1">
<r> -18.6953 0.0966 0.0000 0.0002 0.0001 0.0019 -0.0018 0.0000 0.0291 0.0001 </r>
<r> -18.5955 0.0845 0.0000 0.0002 0.0001 0.0017 -0.0051 0.0000 -0.0228 -0.0000 </r>
<r> -18.4957 0.0275 0.0000 -0.0000 0.0001 0.0006 -0.0044 0.0000 0.0091 -0.0000 </r>
<r> -18.3959 0.0241 -0.0001 -0.0000 0.0001 0.0005 -0.0168 0.0000 -0.0018 0.0000 </r>
<r> -18.2961 0.0063 -0.0001 -0.0000 0.0001 -0.0001 -0.0147 0.0000 0.0007 0.0000 </r>

[Veronika]

I'd say you are in the wrong forum ... ;-)
Send an email to O. Dubay on this topic or put this to the p4vasp forum.