[Wien] problem in creating input for dmftproj from wien2k

[wasim raja Mondal]

Dear Prof. Peter Blaha

I have gone through the shell-script of the user-guide. I found -almd flag
and -qdmft flag for the dmft. But i am not getting how to run. I will start
with the usual process as described in the quick start part in the user
guide and going in the the session directory and type in the terminal
lapw2 -almd command. I tried this and got the error.

Error in LAPW2
 'LAPW2' - can't open unit: 18
 'LAPW2' -        filename: wien.vsp
 'LAPW2' -          status: old          form: formatted

I do not know the correct process. Please help me.

Regards
wasim


On Fri, Apr 26, 2013 at 7:09 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> 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
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