In EIGENVAL file generated by VASP 5.4.4, the eigenvalues of different spins are listed on the same line, with the form
"NumE Eup Edown OccupationUP OccupationDOWN"
for example:
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2267574E-02
1 -15.682996 -15.699935 1.000000 1.000000
2 -15.365257 -15.387651 1.000000 1.000000
3 -9.365086 -9.363467 1.000000 1.000000
4 -7.596234 -7.623737 1.000000 1.000000
5 -3.977048 -3.612688 1.000000 1.000000
it leads to significant misleading at the subroutine read_eigenval().
May the python file fs.py be modified so that the Fermi Surface can be generated in this eigenval file? The file is attached.
Thank you.
EIGENVAL.zip
In EIGENVAL file generated by VASP 5.4.4, the eigenvalues of different spins are listed on the same line, with the form
"NumE Eup Edown OccupationUP OccupationDOWN"
for example:
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2267574E-02
1 -15.682996 -15.699935 1.000000 1.000000
2 -15.365257 -15.387651 1.000000 1.000000
3 -9.365086 -9.363467 1.000000 1.000000
4 -7.596234 -7.623737 1.000000 1.000000
5 -3.977048 -3.612688 1.000000 1.000000
it leads to significant misleading at the subroutine read_eigenval().
May the python file fs.py be modified so that the Fermi Surface can be generated in this eigenval file? The file is attached.
Thank you.
EIGENVAL.zip