NDOS >= 10000 Breaks Doscar Formatting
Posted: Tue Oct 11, 2022 7:52 pm
When using VASP 6.2.0, setting NDOS = 10000 leads to the following lines in the doscar file:
14 14 1 0
0.1266643E+02 0.6256425E-09 0.7406997E-09 0.3826607E-09 0.5000000E-15
1.000000000000000E-004
CAR
unknown system
14.36230513 -35.2677775710000 4.07619041 1.00000000
I highlighted the line where the bug is located. Thus parsing ndos from the doscar file can no longer be done by splitting the line up by whitespace breaks.
14 14 1 0
0.1266643E+02 0.6256425E-09 0.7406997E-09 0.3826607E-09 0.5000000E-15
1.000000000000000E-004
CAR
unknown system
14.36230513 -35.2677775710000 4.07619041 1.00000000
I highlighted the line where the bug is located. Thus parsing ndos from the doscar file can no longer be done by splitting the line up by whitespace breaks.