UT theoretical chemistry code forum

Dear guys,

I performed a single point energy calculation for bulk Au convention cell which contains 4 Au atoms. Then I issued the command: split_dos. Surprisingly, I only got one DOS0 file - DOS0. But it supposes to give 5 DOS files - DOS0, DOS1, DOS2, DOS3, DOS4, right?

What should I do to solve this problem?

Thanks a lot

Jianmin

Please check whether you have RWIGS and set NPAR=1 in your INCAR file, otherwise the code will not do site-projection.

Thanks a lot, Wenjie.
Now I know what the problem is. The split_dos script needs the POSCAR file as an input file to creat the LDOS of each atom.