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[ajlu@ustc.edu]

Thanks a lot. But I need furhter help yet.

1. I used TM psp download from website. It works well for silicon band 
structure calculation with 2 atoms (primitive cell). So I think it's okey to 
be used here. 

2. I did not pay attention to the special point label in the reciprocal 
lattice. Thanks for your suggestion. In fact, I care for the Gamma point 
mainly, but the problem just occurs at this point.

3. 32 k points are calculated, and there are no warnings in the log file. So, 
I can not find other useful clues to revise my input file.

Thanks again.