Dear all wien2k user,
When I want to plot DOS of TiC, it shows an icon and a sentence Download
hardcopy in PostScript format.
I have downloaded the gnuplot and ghostscript softwares, how can I install them
properly?
Any help is highly appreciated.
Best regards,
Yours,
Donghui Guo
2008-09-16
...
URL:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080916/65dcb1f2/attachment.html
I am running WIEN2k_08.2 (Release 21/4/2008) on a Linux Cluster
OPTIONS:
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xT -traceback
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
current:LDFLAGS:-L/opt/intel/fce/lib -static -lsvml -lguide -lpthread
Dear James,
If you want to compare valence XPS spectrum with the DOS deduced from
your Wien2k calculation, you will obtain a qualitative agreement.
Concerning the core states, you may have access to the energy of these
states in the case.scfc file. These values are relative to the fermi
level
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