Search found 2 matches

by alexmoratalla
Fri Feb 17, 2012 2:21 pm
Forum: Response calculations
Topic: Optic. Matrix Elements
Replies: 0
Views: 1711

Optic. Matrix Elements

Hi everybody,

I am doing calculations of the optical response. After having readed the "optic" tutorial I haven't found how to print out the optical matrix elements. Have anyone found out how to do?
Thanks for the help.

Alejandro
by alexmoratalla
Mon Jul 25, 2011 3:55 pm
Forum: Ground state
Topic: Problem with optimization
Replies: 1
Views: 2259

Problem with optimization

Hi everybody. I am trying a while (more than a while, in fact) to optimize the lattice parameters of my unit cell. If I set optcell = 1, the output acell does not differ from the input, even I set far from the expected value. Moreover, if I set optcell = 6 or 9, it seems to work fine. Someone has ev...