[Wien] Error in JOINT during optical property

[alpa dashora]

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
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/**
> theochem/ <http://info.tuwien.ac.at/theochem/>
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-- 
Alpa Dashora
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