[QE-users] QE-6.6 Error in routine scale_sym_ops (4): incompatible FFT grid

[rekha sharma]

Dear Quantum Espresso Users
I am running phonon of ZnO using qe version 6.6 that is compiled using
MPIF90=mpiifort F90=mpiifort F77=mpiifort CC=mpiicc --disable-openmp
--enable-parallel --with-scalapack=intel

I am getting the same erro what is reported at the below thread.

https://gitlab.com/QEF/q-e/-/merge_requests/1069

Could someone please help me what should I do to resolve this?

Thank you
Rekha

<https://gitlab.com/QEF/q-e/-/merge_requests/1069>
My input files are given below:

<https://gitlab.com/QEF/q-e/-/merge_requests/1069>
&CONTROL
                 calculation = 'scf'
                restart_mode = 'from_scratch'
                      outdir = './tmp'
                  pseudo_dir = '~/PPs'
                      prefix = 'pwscf'
!                     disk_io = 'none'
                   verbosity = 'default'
               etot_conv_thr = 0.00001
               forc_conv_thr = 0.0001
                       nstep = 400
                     tstress = .true.
                     tprnfor = .true.
 /
 &SYSTEM
                       ibrav = 0
                         nat = 4
                        ntyp = 2
                     ecutwfc = 85
                     ecutrho = 680
 /
 &ELECTRONS
            electron_maxstep = 200
                    conv_thr = 1.0D-10
                 mixing_beta = 0.5
 /
&IONS
                ion_dynamics = 'bfgs'
 /
&CELL
/

ATOMIC_SPECIES
   Zn   65.3900000000  Zn_pbe_v1.uspp.F.UPF
    O   15.9994000000  O.pbe-n-kjpaw_psl.0.1.UPF

CELL_PARAMETERS (bohr)
   6.203108717   0.000000000   0.000000000
  -3.101554358   5.372049731   0.000000000
   0.000000000   0.000000000  10.009137584

ATOMIC_POSITIONS (crystal)
Zn            0.3333330000        0.6666670000        0.0005525525
Zn            0.6666670000        0.3333330000        0.5005525525
O             0.3333330000        0.6666670000        0.3797574475
O             0.6666670000        0.3333330000        0.8797574475


K_POINTS automatic
8 8 4   0 0 0


&inputph
recover=.true.,
tr2_ph = 1.0d-12
prefix ='pwscf'
alpha_mix =0.3
ldisp = .true.,
trans=.true.,
fildvscf='dvscf'
electron_phonon= " "
nq1=4
nq2=4
nq3=2
outdir ='./tmp'
fildyn = 'zno.dyn'
/
-- 




Best wishes

Ms. Rekha
Teaching Assistant,
Department of Physics
RK college, Jaipur, India
Mob.: +11 91-95 790 71 697
Email: rekha1997jpr at gmail.com
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