[Pw_forum] output writting error

[Aritz Leonardo]

Thanks a lot!

I am going to compile again to see if works



Axel Kohlmeyer escribió:

>On Fri, 5 Nov 2004, Aritz Leonardo wrote:
>
>hi!
>
>did you try using grep? e.g. like this:
>
>[40|16:51]~/compile/pwscf-cvs> grep 'wk =' */*.f90
>CPV/restart.f90:        wk = 1.0d0
>CPV/restart.f90:          wk = 1.0d0
>D3/d3_summary.f90:     WRITE( stdout, '(8x,"k(",i5,") = (",3f12.7,"), wk =",f12.7)') ik, &
>D3/d3_summary.f90:        WRITE( stdout, '(8x,"k(",i5,") = (",3f12.7,"), wk =",f12.7)') &
>FPMD/restart.f90:            wk = kp%weight(i)
>PH/phq_summary.f90:     WRITE( stdout, '(8x,"k(",i5,") = (",3f12.7,"), wk =",f12.7)') ik, &
>PH/phq_summary.f90:        WRITE( stdout, '(8x,"k(",i5,") = (",3f12.7,"), wk =",f12.7)') &
>PP/pw2wan.f90:    igwk = 0
>PW/summary.f90:     WRITE( stdout, '(8x,"k(",i4,") = (",3f12.7,"), wk =",f12.7)') ik, &
>PW/summary.f90:        WRITE( stdout, '(8x,"k(",i4,") = (",3f12.7,"), wk =",f12.7)') &
>
>
>axel.
>
>
>AL> hi!
>AL> 
>AL> whenever I run a nscf calculation with a dense grid, and if the number 
>AL> of k-points is bigger than 9999, I get the following output:
>AL> 
>AL>          k(9997) = (  -0.2500000  -0.4330127   0.2396111), wk = 0.0003858
>AL>          k(9998) = (  -0.2500000  -0.3688627   0.2909563), wk = 0.0000000
>AL>          k(9999) = (  -0.2500000   0.4330127  -0.2396111), wk = 0.0003858
>AL>          k(****) = (  -0.2500000   0.4971627  -0.1882659), wk = 0.0000000
>AL>          k(****) = (   0.2500000  -0.4330127  -0.2396111), wk = 0.0003858
>AL>          k(****) = (   0.2500000  -0.3688627  -0.1882659), wk = 0.0000000
>AL>          k(****) = (   0.5000000   0.0000000   0.2396111), wk = 0.0003858
>AL> 
>AL> Does anybody know WHICH SUBRUTINE CREATES THIS OUTPUT so I can change to 
>AL> a bigger k-integer?
>AL> 
>AL> Thank you very much
>AL> 
>AL> _______________________________________________
>AL> Pw_forum mailing list
>AL> Pw_forum at pwscf.org
>AL> http://www.democritos.it/mailman/listinfo/pw_forum
>AL> 
>AL> 
>
>  
>