[Pw_forum] (no subject)

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Aug 25 10:53:27 CEST 2017


JUts run plotrho interactively, and answer the questions manually as 
they come

kind regards

On 24/08/17 22:26, baizid kabir wrote:
> dear all
> thanks for yours reply.I modified the input file & run again. the output is
> attached.
> is it normal termination or not?
> after this calculation i run ./plotrho to give charge density image. but i
> saw tihs error in terminal:
> 
> 
> 
>   At line 114 of file plotrho.f90 (unit = 5, file = 'stdin')
> Fortran runtime error: Bad integer for item 3 in list input.
> 
> 
> 
>   and output of ./plotrho is :
> 
> Input file > r0   :   0.0000  0.0000  0.0000
> tau1 :   1.0000  1.0000  0.0000
> tau2 :   0.0000  0.0000  1.0000
> read   2 atomic positions
> output file > Read  56 * 40  grid
> Logarithmic scale (y/n)? > Bounds:     0.001411    0.087440
> min, max, # of levels >
> 
> what i can do?
> 
> 
> 
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05



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