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

[Paolo Giannozzi]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200421/8facbc02/attachment.html>