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

[Fariba Islam]

Dear Paolo,
Here I am attaching my files that gave me the errors. Would you kindly see
what the problem is?


On Tue, Apr 21, 2020 at 8:28 PM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> I cannot reproduce your problem. I get some IEEE_UNDERFLOW_FLAG but that's
> all.
>
> Paolo
>
> On Tue, Apr 21, 2020 at 2:13 PM Fariba Islam <ezqhaz at gmail.com> wrote:
>
>> I am using qe-6.5 and downloaded  sg15_oncv_upf_2020-02-06.tar.gz
>> <http://www.quantum-simulation.org/potentials/sg15_oncv/sg15_oncv_upf_2020-02-06.tar.gz>  from
>> http://www.quantum-simulation.org/potentials/sg15_oncv/ and used
>> silicon's PP. I tried all the PPs available in the folder.
>>
>> Regards
>>
>>
>>
>> On Tue, Apr 21, 2020 at 5:54 PM Paolo Giannozzi <p.giannozzi at gmail.com>
>> wrote:
>>
>>> Which pseudopotential and QE version are you ising?
>>>
>>> On Tue, Apr 21, 2020 at 1:48 PM Fariba Islam <ezqhaz at gmail.com> wrote:
>>>
>>>> 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
>>>>
>>>> _______________________________________________
>>>> Quantum ESPRESSO is supported by MaX (
>>>> www.max-centre.eu/quantum-espresso)
>>>> users mailing list users at lists.quantum-espresso.org
>>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>>
>>>
>>>
>>> --
>>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>> Phone +39-0432-558216, fax +39-0432-558222
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
>>> )
>>> users mailing list users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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