phonon eigenvector [SOLVED]

[marsusi]

Hello every one,

I have put outscphon into 1 in order to get PHVEC file and can visualize atomic displacement in each mode. But this flag is not working for eigen vectors and no PHVEC file is generated by ABINIT-8.0.6.
Also, is any other way to visualize phonons in each mode?
Any help would be very appriciated.

Thanks in advance,

Farah.

[Jordan]

You can use eivec=2 to print the eigen vectors.

If you want a tool that directly reads the anaddb output you can use animemd in the abiout package : https://launchpad.net/~piti-diablotin/+ ... ntu/abiout
Open the file output with anaddb and switch to mode phonon with the comman

Code: Select all

:mode phonons
:add QX QY QZ IMODE

where QX QY QZ are one qpt and IMODE the mode number.
(see animemd --help)

[marsusi]

Dear Jordan,

Many thanks for your help. I got the eigen vectors.

Farah.