The error is telling you that something is mostly likely wrong with your
q.energy file.
More specifically, if I remember correctly, you are using gfortran. What
I can tell you is that the error "Fortran runtime error: Bad real number
in item 0 of list input" usually happens if a character is read when it
should have been a real number.
In case.energy, there are lines like:
1 -3.42926916127842
2 -3.42926916127841
...
The "line 60" in the error message indicates that it is reading the
second column containing the eigenvalues
[http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09668.html].
So there is most likely a problem with one of the eigenvalues. Do you
see any strange characters in q.energy instead of a real number?
On 12/18/2013 9:31 AM, berber mo wrote:
Dear all users.
I install the latest version of WIEN2k (13.1)
I try to calculate the optic properties :
1-x kgen (with 20000)
2-x lapw1 -c
3-change fermi in place tot (case.in2c)
4-x lapw2 -c -fermi
and I get this error
At line 60 of file fermi_tmp_.F (unit = 30, file = 'q.energy')
Fortran runtime error: Bad real number in item 0 of list input
2.2u 0.0s 0:02.29 99.5% 0+0k 0+1904io 0pf+0w
error: command /home/berber/wien/lapw2c lapw2.def failed
I waiting for your help
best regards
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