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. 0. 0.
tau1 : 1. 1. 0.
tau2 : 0. 0. 1.
read 2 atomic positions
output file > Read 56 * 40 grid
Logarithmic scale (y/n)? > Bounds: 0.0014110.087440
min, max, # of levels >
what i can do?
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