[Pw_forum] Error in routine phq_readin (5010)

[Louis Fry-Bouriaux]

Hi Sunetra,


    It might be the comma on the last parameter, with certain namelists this causes a parsing error. I haven't tested though but try remove that last comma:


                         nq2 = 5 ,
                         nq3 = 1     <------------
 /
1.0 0.0 0.0


If that doesn't work other input fields might not be correct..


Kindest regards,

Louis

________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Sunetra Das <sunetra.das.88 at gmail.com>
Sent: 24 February 2017 16:54:09
To: pw_forum at pwscf.org
Subject: [Pw_forum] Error in routine phq_readin (5010)

Hello all,

I am trying to run the ph.x code for my system in espress0-5.0.3, but the code stops with the following error code:



 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine phq_readin (5010):
     reading inputph namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


Following is my input:

phonon
 &INPUTPH
                      outdir = './tmp' ,
                      prefix = 'In4' ,
                       ldisp = .true.,
              dvscf_star%pat = .true. ,
                     recover = .false. ,
                       qplot = .false. ,
                         q2d = .false. ,
              q_in_band_form = .true. ,
                    amass(1) = 114.82,
                  iverbosity = 1,
                      tr2_ph = 1e-10 ,
                alpha_mix(1) = 0.7 ,
                         nk1 = 31 ,
                         nk2 = 31 ,
                         nk3 = 1 ,
                          k1 = 0 ,
                          k2 = 0 ,
                          k3 = 0 ,
                         nq1 = 5 ,
                         nq2 = 5 ,
                         nq3 = 1 ,
 /
1.0 0.0 0.0


Can anyone please help me with the above error message ?
Thanks you.

Sunetra.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170224/8134919c/attachment.html>