[QE-users] Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO

Fariba Islam ezqhaz at gmail.com
Tue Apr 21 13:47:42 CEST 2020


For  the following scf file if I use NC pseudopotential I get-
Note: The following floating-point exceptions are signalling:
IEEE_DIVIDE_BY_ZERO
However, when I use USPP I don't get the error. Why is this happening?
code-
&control
    calculation = 'scf'
    restart_mode='from_scratch'
    prefix = 'si_b'
    outdir='./tmp/'
    pseudo_dir='../pseudo/'
/
&system
    ibrav=2, celldm(1) =10.410909236,
    nat=2, ntyp=1,
    ecutwfc=40
    ecutrho=160
    nbnd=8
    noinv=.true.
    nosym=.true.
    ! occupations='smearing', smearing='gaussian',degauss=0.005
/
&electrons
    conv_thr=1e-8
/
ATOMIC_SPECIES
 Si  28.0855  Si.upf

ATOMIC_POSITIONS (alat)
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
K_POINTS {automatic}
12 12 12 0 0 0
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