[Wien] Equations of the chapter 2(WIEN2k users' guide).

[Jorissen Kevin]

If the information in the UG is not sufficient, read Stefaan's DFT/(L)APW manual
http://www.fys.kuleuven.ac.be/iks/nvsf/Publications/DFT_and_LAPW.pdf
 
in which the meaning of case.in1 is discussed in much detail.
 
good luck,
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens armando at ccmc.unam.mx
Verzonden: vr 10-12-2004 19:45
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] Equations of the chapter 2(WIEN2k users' guide).



Dear WIEN users,
Dear WIEN users,

Does anybody know how can I get information for equations 2.4 - 2.9 from the
output files?

I have case.in1 :

WFPRI
7.00   10   4
0.30   2   0
2     0.30    0.010  CONT 1
0     0.30    0.000  CONT 1
K-VECTORS FORM UNIT:4     -4.0        3.0

Bat I lost in the interpretation of the case.output1, case.energy and case.vec.

Thanks in advance.

Armando Reyes

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