[Wien] case.epsilon from imposed case.joint with kram routine

[Gavin Abo]

case.joint has a specific format.  You did not respect that format.

For example, x kram expects to read NCOL (number of columns) and VOL 
(volume) in the first line of case.joint, which I believe are both real 
numbers.  Check the case.joint created by the standard technique, it 
should look similar to:

#2  Vol = 317.0844741231

In your email, it looks like the first line in your case.joint file is:

xx

This line doesn't have the expected two real numbers, just characters, 
so it probably results in the "input conversion error".  You should 
check the formatting of the other lines in the file as well. If your 
know Fortran code, you can also search and look at the "read(10" lines 
in SRC_kram/kram.f.

On 3/6/2013 8:53 AM, abdel Mar.. wrote:
>  Dear Wien2k Users,
>
> as indicated in the UG, to calculate case.epsilon we must have 
> case.joint,case.inkram and kram.deffiles.
>
> Now if I replace the case.joint (*containing**Im **epsilon*) by 
> another file ( *containing **k valu**es* ) respecting the original file.
>
> I am able in principle, to calculate the new case.epsilon, which 
> contains in addition k values and refractive index n  values.
>
> I tried several times without success. this is the message after x kram.
>
>  xx
>   Energy units:  [eV]
>   Lorentzian broadening with gamma: 0.000000000000000       [eV]
> forrtl: severe (64): input conversion error, unit 10, file 
> /archive/user/Al_para/Al_para.joint
> Image              PC Routine            Line        Source
> kram               0000000000476F81 Unknown               Unknown  Unknown
> kram               0000000000475F55 Unknown               Unknown  Unknown
> kram               000000000043D07A Unknown               Unknown  Unknown
> kram               000000000040B0B5 Unknown               Unknown  Unknown
> kram               000000000040A8AA Unknown               Unknown  Unknown
> kram               0000000000421826 Unknown               Unknown  Unknown
> kram               000000000041ED63 Unknown               Unknown  Unknown
> kram               000000000040394B MAIN__                    142  kram.f
> kram               0000000000402DDC Unknown               Unknown  Unknown
> libc.so.6          0000003CF001D8B4 Unknown               Unknown  Unknown
> kram               0000000000402CE9 Unknown               Unknown  Unknown
> 0.002u 0.005s 0:00.01 0.0%      0+0k 0+0io 0pf+0w
> error: command   /share/apps/wien2k/kram kram.def failed.
>
> how can i resolve it ?
>
> Regards
>
>
>
>
> PS: i use the last Wien2k version
> "normal" calculation of epsilon with the standard technique :
> scf , optic, joint, kram ..  without problems.
> .

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