[Wien] optical properties

[SHAMEEM BANU]

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>