Page 1 of 1
two phonon DOS [solved]
Posted: Sat Jul 14, 2012 6:27 pm
by trebor
Does anybody know how to compute the two phonon density of states (sum and difference)? I haven't found any tutorial about this nor any suitable input variable either.
Thank you very much,
Trebor.
Re: two phonon DOS
Posted: Sun Jul 15, 2012 9:07 am
by ilukacevic
Hi!
You have to search better
Testv2, t15.in.
Igor L.
Re: two phonon DOS
Posted: Sun Jul 15, 2012 6:56 pm
by trebor
I'm a recent user of abinit, but I have already used the prescriptions of that test and results are quite bad. The 2PDOS Sum and Difference show all expected bands but with a wrong relative intensity. I just though that the software had some bugs, that's why I asked if there was another way.
Does that tests really work fine for you?
Thank you,
Trebor
Re: two phonon DOS
Posted: Sun Jul 15, 2012 7:26 pm
by trebor
OK I have found that I used an incorrect parameter in the input file. Everything works fine now, thank you.
Trebor.
Re: two phonon DOS [solved]
Posted: Thu Nov 08, 2012 5:40 pm
by fdatchi
Hi,
I am also interested in getting the two phonon dos. I included the following code in anaddb:
dossum 1
which I thought would produce a dossum output file as described in the help page, but got none. No output in the anaddb ouput file either.
I could not find the input file mentionned by Igor (Actually the test_v2/t15.in file I found on the website does not seem to be related to this subject).
For info, I made a complete RF calculation over the BZ and got the phonon DOS right with anaddb.
Thanks in advance for your help
F. Datchi