Search found 3 matches
- Sat May 30, 2015 8:44 pm
- Forum: Response calculations
- Topic: TDDFT absorption spectrum
- Replies: 0
- Views: 2191
TDDFT absorption spectrum
i'm doing calculations with TDDFT theory in order to have opticals properties for my perovskite structure,the problem is that in abinit TDDFT out put they give just results of oscillator strengths(average,xx,yy ..) and exitation energies,can any one help me how to use these results for plotting the ...
- Sat May 30, 2015 8:36 pm
- Forum: Configuring and compiling ABINIT
- Topic: runing abinit in free supercomputer [SOLVED]
- Replies: 2
- Views: 4218
TDDFT absorption spectrum [SOLVED]
i'm doing calculations with TDDFT theory in order to have opticals properties for my perovskite structure,the problem is that in abinit TDDFT out put they give juste results of oscillator strengths(average,xx,yy ..) and exitation energies,can any one help me how to use theses results for plotting th...
- Fri Mar 14, 2014 5:13 am
- Forum: Response calculations
- Topic: runing abinit in free supercomputer
- Replies: 0
- Views: 1381
runing abinit in free supercomputer
are there any free and open supercomputer for doing simulation with abinit,please if some one have any idea about
laboratory of materials sciences
in moulay ismail university
morocco
laboratory of materials sciences
in moulay ismail university
morocco