Dear WIEN2k users,I am using WIEN2k version 8. I am going to update to version 
11.1.Using  version 8, I have come across several research publications. 
So I tried to calculate the optical propertiesof GaAs for which I used the 
structure file given by this version. After fixing RMT, I did 
init_lapw  and run_lapw . After running these two I saved the files and 
then I did initso_lapw. ( no inversion symmetry  was noted)The two 
files case.inso and case.in1were created. Case.in1 was empty and case.inso 
was not empty.I edited case.inso and I performed run_lapw -so. This 
stopped with error.The error given is:L2main -QTL-B error My inputs for 
case.inso are given below.WFFIL4  0  
0-10.0000     1.50000      0  
0  100I am a beginner in using WIEN2k and so It will be very useful to me 
if anyone helps me in overcoming this problem in 
running OPTIC. Thanking you in advance.Banu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110621/3373cb2c/attachment.htm>

Reply via email to