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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