[QE-users] question about epsilon.x

Sabrine Ayari sabrine.ayari at phys.ens.fr
Tue May 3 13:28:27 CEST 2022


Dear Paolo

thank you very much for your reply

i have verified but it still show the same error

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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