输出到文件里面为什么会出现NaN

sqs · 发表于 2022-4-24 22:27:29

本帖最后由 sqs 于 2022-4-24 23:10 编辑

输出部分的代码如下：

[Fortran] 纯文本查看 复制代码

! output data into a file 
open(1, file = 'sigma1.txt', status = 'new')
! assign value to the w1 and w2
do i5 = 0,10
   w2 = complex((0.02d0)*i5*eV/h_bar, 0.03d0*eV)
   call integralk(w2,S1_xx,S1_xy,S1_yx,S1_yy)
   write(1,'(4es32.16,1x)')real(w2),aimag(w2),real(S1_xx),aimag(S1_xx)
end do
  close(1)

如果我将循环注释掉，对w2假设赋值为；

[Fortran] 纯文本查看 复制代码

w2 = complex((0.02d0)*eV/h_bar, 0.03d0*eV)

在文本文件当中是可以正常出现结果的

[Fortran] 纯文本查看 复制代码

  9.1155973050289469E+13          4.8065298624000004E-21          6.2109774794887160E+00         -2.5054868617856510E+01

但是如果不注释循环，就会出现

[Fortran] 纯文本查看 复制代码

          0.0000000000000000E+00          4.8065298624000004E-21          1.7634943123222451E+35         -1.1181774585575250E+29
          3.0385324350096488E+13          4.8065298624000004E-21                             NaN                             NaN
          6.0770648700192977E+13          4.8065298624000004E-21                             NaN                             NaN
          9.1155973050289469E+13          4.8065298624000004E-21                             NaN                             NaN
          1.2154129740038595E+14          4.8065298624000004E-21                             NaN                             NaN
          1.5192662175048244E+14          4.8065298624000004E-21                             NaN                             NaN
          1.8231194610057894E+14          4.8065298624000004E-21                             NaN                             NaN
          2.1269727045067544E+14          4.8065298624000004E-21                             NaN                             NaN
          2.4308259480077191E+14          4.8065298624000004E-21                             NaN                             NaN
          2.7346791915086841E+14          4.8065298624000004E-21                             NaN                             NaN
          3.0385324350096488E+14          4.8065298624000004E-21                             NaN                             NaN

这又是哪里出问题了呢
完整代码如下
Fcode Pastebin