[Wien] error in lapw2

[berber mo]

I repeat the calculation using the original case.in2c

x kgen (20000)
x lapw1
x lapw2 -fermi
STOP LAPW2 - FERMI; weighs written
3.6u 0.0s 0:03.70 99.7% 0+0k 0+11520io 0pf+0w 



Le Jeudi 19 décembre 2013 8h49, Peter Blaha <pblaha at theochem.tuwien.ac.at> a écrit :
 
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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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