[QE-users] Error in routine davcio at beginning of phonon calculation

[nate szymanski]

Update: Upon further investigation, this error arose due to the inclusion
of the electron_phonon tag, which should not be added until after an
initial phonon run has been completed.

On Tue, Apr 9, 2019 at 1:28 PM nate szymanski <njszym at gmail.com> wrote:

> Hello,
>
> Upon attempting to run ph.x to compute the phonon dipsersions of a
> compound (ScC), I am running into the following error very early in the
> calculation:
>
> Error in routine davcio (27):
> error while reading from file "./_ph0/ScC.q_1/ScC.dv1"
>
> When I check the file "ScC.dv1", I notice that it is completely empty.
> However, I can't seem to figure out why this is, as everything in the
> output seems completely normal.
>
> My input file for ph.x is as follows:
>
> &inputph
>   prefix='ScC',
>   ldisp=.true.,
>   fildyn='dyn',
>   nq1=8,
>   nq2=8,
>   nq3=8,
>   tr2_ph=1.0d-12,
>   alpha_mix(1)=0.6,
>   lshift_q = .true.,
>   fildvscf='dv',
>   fildrho = 'drho',
>   electron_phonon='lambda_tetra'
> /
>
> This run is performed after completing a well-converged self-consistent
> calculation in the same folder.
>
> Any help would be appreciated.
>
> Sincerely,
> Nathan
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190409/6124ae71/attachment.html>