Search found 2 matches
- 16 Oct 2014, 22:47
- Forum: General discussions
- Topic: visualization of charge density
- Replies: 3
- Views: 7544
Re: visualization of charge density
Hello, Thank you for telling me that. I did a quick test. It seems that the cube file can be made, but there is certainly something not right about the file produced. The obvious problem is that number of atoms are not correct in cube file, and I don't know if I can believe the density. Following is...
- 15 Oct 2014, 02:36
- Forum: General discussions
- Topic: visualization of charge density
- Replies: 3
- Views: 7544
visualization of charge density
Dear All,
I am new to Dalton, actually quantum chemistry code in general. I would like to ask, if there is an easy way to visualize charge density of a molecule, or single molecular orbital. According to the manual, DALTON.ORB is currently not supported. Appreciate your help!
Cheers
Jia
I am new to Dalton, actually quantum chemistry code in general. I would like to ask, if there is an easy way to visualize charge density of a molecule, or single molecular orbital. According to the manual, DALTON.ORB is currently not supported. Appreciate your help!
Cheers
Jia