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PytLab / VASPy

Manipulating VASP files with Python.
https://pypi.python.org/pypi/vaspy/
MIT License
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CHGCAR plot error #5

Open alejandrogallo opened 6 years ago

alejandrogallo commented 6 years ago

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()
PytLab commented 6 years ago

Hi, is it convenient for you to show me the CHGCAR file?

alejandrogallo commented 6 years ago

Sure, here is one example: chgcar.log

Thanks!