The first steps with Waveplot
Previous:
The first steps with
Up:
The first steps with
Next:
1 Making a DFTB+
Contents
1 Making a DFTB+ calculation
2 Running Waveplot
2.1 Input
2.2 Output
3 Visualising the results with VMD
3.1 Total charge distribution
3.2 Charge distribution difference
3.3 Molecular orbitals
