lomalaspina
commented
3 years ago Hello Fran,
The message "Error in TEXTFILE:read_line_bad_eof ... did you forget to set ignore_end_of_file?" usually means that Tonto was still searching for an information in the input that is missing, like for example one element that you have in your structure could be missing from the basis set file or could also mean that you might have one loop that its still open (like a missing curly bracket). Do you mind posting your input file?
Cheers,
Lorraine
Sumair075381
Hi,
I'm learning how to use properly CrystalExplorer 17.5 and I have some questions that I would greatly appreciate it if someone can help me.
1) I'm trying to calculate electron density of an organic cation using 6-311++G(2d,2p) basis set. I calculated the deformation density and electrostatic potential and all worked, but when I tried to calculate the electron density an error arose during the surface generation progress:
Error in TEXTFILE:read_line_bad_eof ... did you forget to set ignore_end_of_file?
I added manually the basis set to the stdin file and terminated well for deformation density (DD) and electrostatic potential (ESP) calculations.
2) I also have the same error when I try to represent any of those properties (DD and ESP) but using Hirshfeld surface.
3) Finally, I tried to calculate these properties for Hg(II) containing complexes but as I know the commonly used basis set for it is LANL2DZ which is not in TONTO, instead I tried with DGDZVP (as I read in other issues, I previously downloaded the corresponding file and added to the basis set directory) but the same message appeared:
Error in TEXTFILE:read_line_bad_eof ... did you forget to set ignore_end_of_file?
Thank you in advance