[Wien] How to install gnuplot and ghostscript

2008-09-16 Thread Donghui Guo
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

[Wien] please help

2008-09-16 Thread susanta mohanta
... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080916/65dcb1f2/attachment.html

[Wien] problems with ssh/csh (or so) on a cluster

2008-09-16 Thread Ludwig, Christian
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

[Wien] Calculating XPS spectra in Wien2k

2008-09-16 Thread Rocquefelte
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