Open dshfjsd opened 1 year ago
Usually this error occurs if your calculation did not completely finish. Double check your OUTCAR to see if everything completed normally and that "E-fermi" is present in the file.
Thank you so much
I sorry to ask again but I thought I met the same problem. I did checked the OUTCAR and E-fermi : -0.1906 XC(G=0): -5.7341 alpha+bet : -5.1756 were in the OUTCAR file normally. Could there be any other solution to this situation?
'grep' �����ڲ����ⲿ���Ҳ���ǿ����еij��� ���������ļ��� Traceback (most recent call last): File "C:/Users/10157/PycharmProjects/pythonProject2/dos.py", line 4, in
bs = Band(folder=r'C:\Users\10157\Desktop\band')
File "C:\Users\10157\PycharmProjects\pythonProject2\venv\lib\site-packages\vaspvis\band.py", line 120, in init
self.efermi = float(os.popen(f'grep E-fermi {os.path.join(folder, "OUTCAR")}').read().split()[2]) + shift_efermi
IndexError: list index out of range