[Wien] problem in creating input for dmftproj from wien2k

[Peter Blaha]

Check the UG. These two files are ceated ONLY when using a special 
switch/input for lapw2.

On 04/26/2013 02:48 PM, wasim raja Mondal wrote:
> Dear Prof. peter blaha and wien2k experts,
>
> I have installed wien2k_12 version in my ubuntu desktop. I have run the
> TiC example. I want to do LDA+DMFT calculation. For that I will take the
> output of wien2k and run  dmftproj which is a part of TRIQS (I have
> installed it). According to the dmftproj manual, after succesful run of
> runscf there will be created two file. One is case.almblm and another is
> case.dmftsym. The last file that is case.dmftsym has been created but
> nothing is there inside the file and another file (case.almblm) has not
> been created. what should i do for creating the input file for dmftproj.
> I am giving the dayfile of my scf run of TiC. Please help me.
>
> Regards
> wasim
>
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 2    ETEST: 0   CTEST: 0
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 3    ETEST: 0   CTEST: 0
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 4    ETEST: .1092254750000000   CTEST: .4629260
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 5    ETEST: .0816757200000000   CTEST: .1775404
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
>
> in cycle 6    ETEST: .0194563700000000   CTEST: .1804727
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 7    ETEST: .0026946250000000   CTEST: .0759627
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 8    ETEST: .0030816400000000   CTEST: .0208062
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 9    ETEST: .0003383600000000   CTEST: .0072849
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW2 END
>   CORE  END
>   MIXER END
> ec cc and fc_conv 1 1 1
>
>  >   stop
>
>
>
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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/
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