[Pw_forum] Restarting of phonon calculations

[Elio Physics]

Hello all,
I am doing electron phonon calculations and I would like to ask two questions:
(1)  I have realized that  supposidely for the Gamma point, the calculations gave:
lambda( 1)=  0.0000   gamma=    0.00 GHz     lambda( 2)=  0.0000   gamma=    0.00 GHz     lambda( 3)=  0.0000   gamma=    0.00 GHz     lambda( 4)=  0.0000   gamma=    0.00 GHz     lambda( 5)=  0.0000   gamma=    0.00 GHz     lambda( 6)=  0.0000   gamma=    0.00 GHz     lambda( 7)=  0.0000   gamma=    0.00 GHz     lambda( 8)=  0.0000   gamma=    0.00 GHz     lambda( 9)=  0.0000   gamma=    0.00 GHz     lambda(10)=  0.0000   gamma=    0.00 GHz     lambda(11)=  0.1557   gamma=  116.91 GHz     lambda(12)=  0.1557   gamma=  117.12 GHz     lambda(13)=  0.0000   gamma=    0.00 GHz     lambda(14)=  0.0000   gamma=    0.00 GHz     lambda(15)=  0.0000   gamma=    0.00 GHz     lambda(16)=  0.0000   gamma=    0.00 GHz     lambda(17)=  0.4818   gamma= 1403.82 GHz     lambda(18)=  0.5266   gamma= 1535.48 GHz     When I restart the calculations, due to limitations on cluster's running time, the results recovered for that same point Gamma are presented as:
lambda( 1)=  0.0000   gamma=    0.00 GHz     lambda( 2)=  0.0000   gamma=    0.00 GHz     lambda( 3)=  0.0000   gamma=    0.00 GHz     lambda( 4)=  0.0000   gamma=    0.00 GHz     lambda( 5)=  0.0000   gamma=    0.00 GHz     lambda( 6)=  0.0000   gamma=    0.00 GHz     lambda( 7)=  0.0000   gamma=    0.00 GHz     lambda( 8)=  0.0000   gamma=    0.00 GHz     lambda( 9)=  0.0000   gamma=    0.00 GHz     lambda(10)=  0.0000   gamma=    0.00 GHz     lambda(11)=  0.0000   gamma=    0.00 GHz     lambda(12)=  0.0000   gamma=    0.00 GHz     lambda(13)=  0.0000   gamma=    0.00 GHz     lambda(14)=  0.0000   gamma=    0.00 GHz     lambda(15)=  0.0000   gamma=    0.00 GHz     lambda(16)=  0.0000   gamma=    0.00 GHz     lambda(17)=  0.0000   gamma=    0.00 GHz     lambda(18)=  0.0000   gamma=    0.00 GHz
which are all zeros!! Will that affect the final result of the electron phonon calculations? or is it just a problem with the recover mode of QE?
(2) Sometimes when I restart phonon calculations, I get an error of the type: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%     Error in routine broyden (1):     factorization
I reduce my tr_ph2 from 10^(-21) to 10^ (-20) and it works sometimes but some other times it doesnt. my system has 11 atoms (C and O). I have known that this error is difficult to resolve; however I want to know, is it possible to do the phonon calculations point by point and then group them somehow in one file to be able to use q2r.x and matdyn.x later?
Thank youElieUniversidade Federal de RondoniaBrazil



 		 	   		  
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