[Pw_forum] Error in routine phq_readin (5010)

Sunetra Das sunetra.das.88 at gmail.com
Fri Feb 24 17:54:09 CET 2017


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.
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