[Wien] rutile DOS

Liberti, Emanuela e.liberti09 at imperial.ac.uk
Thu Feb 11 17:52:51 CET 2010


Dear Wien2k users and developers,
I  am running Wien2k_08 using a Windows XP terminal and connecting to a Linux server using Putty and Cygwin.
I am calculating the DOS of TiO2 rutile using the w2web interface.
The calculated DOS is provided in the energy range -10 - 15 eV, whereas the lowest valence bands ( -17 eV) are not displayed. I increased the energy range in case.in1 (as suggested in the FAQ's), rerun the SCF and tetra via interface and nothing changed.
Can you please help me?
With kind regards,
Emanuela Liberti
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