[Wien] Error in JOINT during optical property

[Peter Blaha]

Did you run    x lapw2 -fermi    (with TETRA switch) ???

Am 29.10.2012 09:36, schrieb alpa dashora:
> Dear Wien2k users,
>
> I am trying to calculate the optical properties of MoWS2 multilayer thin film. There is no error during scf and I have also computed DOS curves without any error.
> In *joint *program, I received the following error message:
>
> opmat allocated with kkk,nbindex,ncol          14       78640           2 (
>             2  MB)
> forrtl: severe (24): end-of-file during read, unit 4, file /root/WIEN2k_11/alpa/MoWS2_case2/MoWS2_case2.weight
> Image              PC        Routine            Line        Source
> joint              080C3D1F  Unknown               Unknown  Unknown
> joint              080C333F  Unknown               Unknown  Unknown
> joint              0808D4E2  Unknown               Unknown  Unknown
> joint              08066C6A  Unknown               Unknown  Unknown
> joint              08066905  Unknown               Unknown  Unknown
> joint              08078367  Unknown               Unknown  Unknown
> joint              08053862  MAIN__                    425  joint.f
> joint              08049DF1  Unknown               Unknown  Unknown
> libc.so.6          002BEDEC  Unknown               Unknown  Unknown
> joint              08049D31  Unknown               Unknown  Unknown
> 1.872u 0.448s 0:02.32 99.5%    0+0k 0+0io 0pf+0w
> error: command   /root/WIEN2k_11/joint joint.def   failed
>
> Please suggest me how to solve this error.
>
> Thanks in advance.
>
> --
> Alpa Dashora
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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>

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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