Please repeat the calculations, but use the original case.in2c file
(maybe you made an error during editing this file).
Then do:
x kgen (20000)
x lapw1 (you don't need -c, this is done automatically)
x lapw2 -fermi (do NOT edit case.in2c before)
On 12/18/2013 05:31 PM, 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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P.Blaha
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