Linear response calculations
Posted: Thu Feb 18, 2010 4:44 pm
Dear admin and vasp users
I think density functional perturbation theory is a major improvement in the vasp code. I was wondering why there is so few information about it in the manual except "switch IBRION to 7 or 8" and a few other keywords.
I performed a linear response calculation on a simple material and I now have a DYNMAT file which is not even mentioned in the manual. Or maybe I did not search well enough.
Could you please let me know if there is more practical information on the use of DFPT in vasp?
Thanks
<span class='smallblacktext'>[ Edited ]</span>
I think density functional perturbation theory is a major improvement in the vasp code. I was wondering why there is so few information about it in the manual except "switch IBRION to 7 or 8" and a few other keywords.
I performed a linear response calculation on a simple material and I now have a DYNMAT file which is not even mentioned in the manual. Or maybe I did not search well enough.
Could you please let me know if there is more practical information on the use of DFPT in vasp?
Thanks
<span class='smallblacktext'>[ Edited ]</span>