| Re: Gaussian cube files and periodicity ( No.1 )|
- Date: 2017/11/20 15:19
- Name: Yung-Ting Lee <email@example.com>
- Dear lzotti,
Could you provide some of your HOMO/LUMO cube files or any other examples (or images) for isosurface broken into regions / parts? Thank you.
| Re: Gaussian cube files and periodicity ( No.2 )|
- Date: 2017/11/20 23:23
- Name: lzotti
- Dear Yung-Ting Lee,
thank you very much for offering your help but actually we've just solved the problem. It was due to having accidentally left, in the input file, the value of scf.fixed.grid resulting from a previous calculation. By deleting this line everything went back to normal.