[Wien] K point changed with Spin-orbital coupling.

[yanming Ma]

Dear Users,
 
I have a case with Spin-orbital coupling, but is not spin-polarized calculation.
The space group is C2/m. I use 6 k points in my calculation.
But after SCF, I check the output files. The K points shown in the case.output1 and in the case.outputso are different. For example,  k point 1 is 0.125 0.5 0.125 in case.output1, but in outputso it is 0.25 0.5 0.00. Is this reasonable? or something wrong.
 
Any comments
 
I will highly appreciate your help.
 


Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada

---------------------------------
Do you Yahoo!?
The New Yahoo! Shopping - with improved product search
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20031008/34d7f2de/attachment.html