Search found 2 matches
- Thu Feb 06, 2014 2:50 pm
- Forum: Ground state
- Topic: Ground state wavefunction of H atom not spherical symmetric?
- Replies: 3
- Views: 3611
Re: Ground state wavefunction of H atom not spherical symmet
I used xcrysden to plot the real part of WFK file of dataset2. How did you extract the real part? I used cut3d and vesta to plot the norm of the 1s state and it's spherically symmetric as expected (see attached file) Besides, in dataset12, one has n(r) = |psi_{1s}(r)|^2 so it seems strange that you...
- Wed Feb 05, 2014 2:10 am
- Forum: Ground state
- Topic: Ground state wavefunction of H atom not spherical symmetric?
- Replies: 3
- Views: 3611
Ground state wavefunction of H atom not spherical symmetric?
Dear all, I just copied the code in tutorial 2.4 ( http://www.abinit.org/documentation/helpfiles/for-v7.6/tutorial/lesson_base2.html#24 ), in which dataset1 deals with H2 molecule and dataset2 deals with an isolated H atom. I used xcrysden to plot the real part of WFK file of dataset2. It's complete...