[QE-users] Error in running CP

[vrahul at iitk.ac.in]

Thanks Paolo.

One more thing I noticed that,if I turn off the LSD it doesn't show the
error, it is only showing error with LSD and since I am having transition
metal system I need an open shell calculation.

Thank you

Regards
Rahul

> Just change the format from (a,2f12.8,/,a,2f12.8) to (a,f12.8,/,a,f12.8)
>
> Paolo
>
> On Fri, Aug 27, 2021 at 3:06 PM <vrahul at iitk.ac.in> wrote:
>
>> Hello,
>>
>>  I am trying to perform CP dynamics of magnetic system but I am getting
>> an
>> format error from a subroutine chargedensity.f90. Below the exact error
>> message :
>>
>> At line 1079 of file chargedensity.f90 (unit = 6, file = 'stdout')
>> Fortran runtime error: Expected REAL for item 3 in formatted transfer,
>> got
>> CHARACTER
>> (a,2f12.8,/,a,2f12.8)
>>
>> Input file attached.
>>
>> Thank you
>>
>> Regards
>> Rahul_______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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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
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users


Rahul Verma
Department of Chemistry
IIT Kanpur