| Re: How to get charge distribution for large supercell? ( No.1 )|
- Date: 2017/08/12 09:27
- Name: T. Ozaki
There is no difference in generating cubes files in case of small- and large-scale systems.
Did you see the following message for the large-scale calculation?
The calculation was normally finished.
If not, there might be some issue related to memory shortage.
Could you try the binary mode?
| Re: How to get charge distribution for large supercell? ( No.2 )|
- Date: 2017/08/25 04:35
- Name: G.Banach
Thank you for your suggestion. The calculation was normally finished and the results were correct. The solution of my problem was binary mode as you guessed.
I was a little bit confused, that I have not got any warrning in output files despite the "level.of.fileout=1".
Thank you very much for help.