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.
phonon eigenvector [SOLVED]
Moderators: mverstra, joaocarloscabreu
Re: phonon eigenvector [SOLVED]
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
where QX QY QZ are one qpt and IMODE the mode number.
(see animemd --help)
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)
Re: phonon eigenvector
Dear Jordan,
Many thanks for your help. I got the eigen vectors.
Farah.
Many thanks for your help. I got the eigen vectors.
Farah.