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? > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
