UT theoretical chemistry code forum

Hello,

I am running split_dos.py script for calculating the d-band center of Pd slab.
The scipts runs fine for spin restricted cases but it gives error when running for spin-unrestricted.

I am using VASP 5.4. It would be great if you can please help me out here.

Here is the error below:

File "/glb/home/inang7/bin/split_dos.py", line 131, in <module>
write_spin(lines, index, nedos, natoms, ncols, efermi)
File "/glb/home/inang7/bin/split_dos.py", line 110, in write_spin
for site in range(nsites):
TypeError: 'float' object cannot be interpreted as an integer


Thank you