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
A rookie question about split_dos
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Re: A rookie question about split_dos
Please check whether you have RWIGS and set NPAR=1 in your INCAR file, otherwise the code will not do site-projection.
Re: A rookie question about split_dos
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.
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.