[Wien] Calculating x kram with intra-band contribution

[Chukwuemeka Okoye]

Hi,
Please find the error on the screen:

xx
 zz
  Energy units:  [eV]
  Lorentzian broadening with gamma:   0.100000000000000       [eV]
        3501  data points
  ENERGY INCREMENT:   1.361000000000000E-002
forrtl: severe (59): list-directed I/O syntax error, unit 5, file
/home/cmi/abc.inkram
Image              PC                Routine            Line
Source
kram               000000000040A2AB  Unknown               Unknown  Unknown
kram               000000000042894B  Unknown               Unknown  Unknown
kram               00000000004271B5  Unknown               Unknown  Unknown
kram               000000000040453C  MAIN__                    179  kram.f
kram               0000000000403822  Unknown               Unknown
Unknownlibc-2.31.so       0000152C6750E0B3  __libc_start_main
Unknown  Unknown
kram               000000000040372E  Unknown               Unknown  Unknown
0.017u 0.005s 0:00.21 4.7%	0+0k 5328+0io 20pf+0w
error: command   /home/cmi/wien2k/2k18v2/kram kram.def   failed

Thanks.

CMI Okoye



*------------------------------Chukwuemeka M I Okoye*

*Department of Physics and Astronomy,*

*University of Nigeria, *

*Nsukka, Enugu State,*
*Nigeria*
Telephone: +234 7038766990
E-mail: cmi.okoye at unn.edu.ng


On Sun, Aug 9, 2020 at 10:02 AM Tran, Fabien <fabien.tran at tuwien.ac.at>
wrote:

> Hi,
>
> What is the error message (either on the screen or in kram.error)?​
>
>
> ------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of
> Chukwuemeka Okoye <cmi.okoye at unn.edu.ng>
> *Sent:* Sunday, August 9, 2020 10:59 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* [Wien] Calculating x kram with intra-band contribution
>
>
> Dear all,
> I am trying to calculate optical properties for a spin-polarized
> half-metal. x optic, x joint ( with both options 6 & 4 as specified)  all
> ran smoothly.  Without intra-band i.e 0 in line 3 of inkram, x kram
> executed smoothly also. However, when intra-band contribution is added by
> using '1' as input in line  3 of inkram, x kram failed.
> Please, I need assistance to overcome this.
> Regards
> CMI Okoye
>
>
> *------------------------------ Chukwuemeka M I Okoye *
>
> *Department of Physics and Astronomy, *
>
> *University of Nigeria, *
>
> *Nsukka, Enugu State, *
> *Nigeria*
> Telephone: +234 7038766990
> E-mail: cmi.okoye at unn.edu.ng
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