[QE-users] Problem while running nscf to calculate Si mobility

[Paolo Giannozzi]

The syntax of the K_POINTS card is not correct: the first column should 
not be there

Paolo

On 05/02/2023 01:18, NM SALMA wrote:
> 	
> You don't often get email from rose-marron2008 at hotmail.fr. Learn why 
> this is important <https://aka.ms/LearnAboutSenderIdentification>
> 	
> 
> I was trying to calculate the mobility of charges of Si crystal (It`s 
> exercice 2 in the attached pdf file ). I`m in the step where i have to 
> do an nscf calulation. But it`s not working for me.The following message 
> is diplayed in the terminal :
> 
> Error in routine fft_type_set (7):
> 
> inconsistent number of sticks
> 
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> Error in routine fft_type_set (7):
> 
> inconsistent number of sticks
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> 
> stopping ...
> 
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> Error in routine fft_type_set (7):
> 
> inconsistent number of sticks
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> 
> stopping ...
> 
> 
> 
> I also attached the input file that I used and the output file that I got.
> 
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> 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

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