Skip to content

ValueError: could not convert string to float: '**********' #17

@PolyuWeldingSpock

Description

@PolyuWeldingSpock

Hi,

I have tried to use mcu to plot spin polarized band structure. My vasprun.xml and OUTCAR were generated with VASP 5.4.4. When I type
import mcu
mymcu=mcu.VASP()
It showed error:
Traceback (most recent call last): File "<stdin>", line 1, in <module> File "/home/polyucmp/.local/lib/python3.10/site-packages/mcu/vasp/vasprun.py", line 47, in __init__ self.get_info(self.vasprun) File "/home/polyucmp/.local/lib/python3.10/site-packages/mcu/vasp/vasprun.py", line 89, in get_info self.get_efermi() File "/home/polyucmp/.local/lib/python3.10/site-packages/mcu/vasp/vasprun.py", line 117, in get_efermi tdos, pdos, efermi = self.vasprun.get_dos() File "/home/polyucmp/.local/lib/python3.10/site-packages/mcu/vasp/vasp_io.py", line 400, in get_dos total_out.append(self.extract_vec(spin)) File "/home/polyucmp/.local/lib/python3.10/site-packages/mcu/vasp/vasp_io.py", line 579, in extract_vec vec = np.float64(vec) ValueError: could not convert string to float: '**********'
Is there something wrong wih vasprun.xml? I do not know what happened. Hope you can help me.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions