[QE-users] question about epsilon.x

[Paolo Giannozzi]

Once again: add a character (whatever character) after the final "/". 
There isn't one, not even a newline character.


On 5/3/22 15:14, Sabrine Ayari wrote:
> Dears
> 
> please find attached the input band out put file
> 
> scf
> 
> nscf
> 
> epsilon
> 
> Le 03/05/2022 à 12:58, Paolo Giannozzi a écrit :
>> Verify that there is something at the end of the namelist: a space, a 
>> newline, whatever. With some compilers you get an error if the last 
>> character of the namelist is also the last character of the file
>>
>> Paolo
>>
>> On 5/3/22 12:50, Sabrine Ayari wrote:
>>> Dear QE users
>>>
>>>
>>> Dear
>>> i am new in DFT calculation ( i use quantum espresso) ,
>>> now i am using epsilon.x input to find optical properties.
>>> i have write the following input :
>>> &inputpp
>>> outdir = './out/'
>>> prefix = 'aiida'
>>> calculation = 'eps'
>>> /
>>> &ENERGY_GRID
>>> smeartype = 'gauss'
>>> intersmear =0.1
>>> intrasmear = 0.0
>>> wmax = 10.0
>>> wmin = 0.0
>>> nw = 500
>>> shift = 0.0
>>> /
>>> but i have the following error :
>>> task # 0
>>> from epsilon : error # 5010
>>> reading namelist ENERGY_GRID
>>> can you please help me to solve/undrestand the origin of  the error ??
>>> Best regards
>>> Thanks
>>>
>>>
>>>
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>>

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222