Hi,
It might be because you have not geometry optimized your system completely.
I recommend you to run a relax calculation with following parameters changed,
they might seem overkill but they work:
in CONTROL
etot_conv_thr = 1.0D-6,
forc_conv_thr = 1.0D-5,
in
Hi,
It might be because you have not geometry optimized your system completely.
I recommend you to run a relax calculation with following parameters changed,
they might seem overkill but they work:
in CONTROL
etot_conv_thr = 1.0D-6,
forc_conv_thr = 1.0D-5,
in
This question has been answered many times:
www.quantum-espresso.org/faq/phonons
Paolo
On Mon, Nov 13, 2017 at 9:18 AM, 方子明 <201721140...@mail.bnu.edu.cn> wrote:
> Dear Experts,
> Recently, I have done some phonon calculations about NaFeAs, I noted that
> some negative frequencies appears at Gam
Dear Experts,
Recently, I have done some phonon calculations about NaFeAs, I noted that some
negative frequencies appears at Gamma point.
I have also done calculationphonon dispersion for LiFeAs, and again I found
some negative frequencies.
My input files are attached with mail.
Thanking in ant
Dear Experts,
Recently, I have done some phonon calculations about NaFeAs, I noted that some
negative frequencies appears at Gamma point.
I have also done calculationphonon dispersion for LiFeAs, and again I found
some negative frequencies.
My input files are attached with mail.
Thanking in ant
Dear Experts,
Recently, I have done some phonon calculations about NaFeAs, I noted that some
negative frequencies appears at Gamma point.
I have also done calculationphonon dispersion for LiFeAs, and again I found
some negative frequencies.
My input files are attached with mail.
Thanking in ant
