[Pw_forum] problem with ibrav=13 again

[hania djani-ait aissa]

Dear all,
thank you for your quick reply, the structure should look as stacked multilayers of Bi2O2 slabs and perovskites ones along a-axis. i will use the latest version of Xcrysden and check if the problem  still persist. here my total input file:
 &control    calculation  = 'scf'    restart_mode = 'from_scratch'    pseudo_dir   = '/home/hania/pseudo/'    outdir       = '/home/hania/tmp/' / &system    ibrav=0    celldm(1)=31.067,     celldm(2)=0.234,     celldm(3)=0.5,    celldm(4)=-0.213,    nat=18    ntyp=3    ecutwfc=35.0    ecutrho=200.0,    occupations = 'fixed'     / &electrons    conv_thr = 1e-6,    mixing_beta=0.7, /ATOMIC_SPECIES    W     183.84    W.pz-bhs.UPF  Bi    208.98    083-Bi-ca-d-vgrp_ji.uspp.UPF  O     15.9994   O.pz-van_ak.UPF ATOMIC_POSITIONS alat W  0.4981    0.117     0.15035 W  0.5019    0.117     0.34965 Bi 0.3341    0.000     0.46565       Bi 0.6659    0.000     0.03435 Bi 0.3213    0.000     0.1975 Bi 0.6787    0.000     0.3025 O  0.2469    0.000     0.0585 O  0.7531    0.000     0.4415 O  0.2313    0.117     0.1819 O  0.7686    0.117     0.3181 O  0.4946    0.000     0.15565 O  0.5054    0.000     0.34435 O  0.5753    0.117     0.25435 O  0.4247    0.117     0.24565 O  0.5696    0.117     0.0867 O  0.4304    0.117     0.4133 O  0.3972    0.117     0.08225 O  0.6028    0.117     0.41775   K_POINTS {automatic}  3 6 6 1 1 1
 thanks  again
 
Hania djani-Ait Aissa
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