[Wien] Problem in tetra
Kamal Chinnathambi
kamal_chinnathambi at rediffmail.com
Fri Mar 12 09:40:10 CET 2010
Dear Sir,
I am having problem in DOS calculations for surface studies of some magnetic systems (supercell geometry). The results produced by tetra (i.e in case.dos* files) contain "NaN". This is the first time i witness this problem. I am using WIEN2k_08.
Processor: Dual core Xeon processors (@ 3.73 GHz) with 4 MB L2 cache
Compiler : Intel fortran compiler (ifort)
I tried resolve this problem with two suggestions given in wien mail list, but i couldn't resolve it. Your help to resolve this problem is greatly appreciated.
thanks,
C. Kamal
---------------------------
Semiconductor Laser Section
Raja Ramanna Centre for Advanced Technology
Indore -452013 (INDIA)
----------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100312/bc9f0b2c/attachment.htm>
More information about the Wien
mailing list