VASPy
VASPy copied to clipboard
CHGCAR plot error
I get the following error
Traceback (most recent call last):
File "test.py", line 9, in <module>
a = ChgCar()
File "/home/gallo/software/VASPy/vaspy/electro.py", line 549, in __init__
ElfCar.__init__(self, filename)
File "/home/gallo/software/VASPy/vaspy/electro.py", line 268, in __init__
super(ElfCar, self).__init__(filename)
File "/home/gallo/software/VASPy/vaspy/atomco.py", line 357, in __init__
self.load()
File "/home/gallo/software/VASPy/vaspy/electro.py", line 289, in load
datalist = line2list(line)
File "/home/gallo/software/VASPy/vaspy/functions.py", line 20, in line2list
datalist = [dtype(i) for i in strlist if i != '']
File "/home/gallo/software/VASPy/vaspy/functions.py", line 20, in <listcomp>
datalist = [dtype(i) for i in strlist if i != '']
ValueError: could not convert string to float: 'augmentation'
witht the following script
import vaspy
from vaspy.electro import ChgCar
a = ChgCar()
a.plot_contour3d()
Hi, is it convenient for you to show me the CHGCAR file?