[Wien] Error in JOINT during optical property

[alpa dashora]

Dear Dr. Ong,

Thanks for your reply, these steps I have already did. After that I
received the error as mentioned in the earlier mail.

rgds,

On Mon, Oct 29, 2012 at 2:35 PM, Ong Phuong Khuong (IHPC) <
ongpk at ihpc.a-star.edu.sg> wrote:

>  Check joint.err file for detail. I believe you do not have files:
> case.symmat1/2 or case.symmat(up/dn)1/2.****
>
> ** **
>
> Just make empty file with these names and it works. Good luck!****
>
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> Dr. Khuong P. Ong****
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> Research Scientist****
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> Optics and Transport (Team Leader)****
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> *From:* wien-bounces at zeus.theochem.tuwien.ac.at [mailto:
> wien-bounces at zeus.theochem.tuwien.ac.at] *On Behalf Of *alpa dashora
> *Sent:* Monday, October 29, 2012 5:01 PM
> *To:* A Mailing list for WIEN2k users
> *Subject:* Re: [Wien] Error in JOINT during optical property****
>
> ** **
>
> Dear Prof. Blaha,
>
> I have run x lapw2 -fermi with TEMPS switch (in case.in2 file), because my
> system did not converge with TETRA switch.
>
> After scf convergence, Can I change TEMPS to TETRA?
>
> ****
>
> On Mon, Oct 29, 2012 at 2:24 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
> wrote:****
>
> 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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>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
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> --
> Alpa Dashora****
>
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-- 
Alpa Dashora
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