Search found 3 matches

by lilya
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 ...
by lilya
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...
by lilya
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