[Wien] case.vector and case.output1 in k-parallel

[Peter Blaha]

Just run by hand:
     x lapw1 -p
     x lapw2 -p -fermi
Check how many parallel lapw1 where run (testpara) and cat out output1 files together:

     cat case.output1_1 case.output1_2 ..... > case.output1

Now execute in xcrysden the fermi surface rendering.

nluo at uiuc.edu schrieb:
> Peter, thanks for reply. Actually I need it to speed up xcrysden on Fermi surface. 
> Cheers, 
> 
> 
> ---- Original message ----
>> Date: Wed, 21 May 2008 07:21:44 +0200
>> From: Peter Blaha <pblaha at theochem.tuwien.ac.at>  
>> Subject: Re: [Wien] case.vector and case.output1 in k-parallel  
>> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>>
>> No.
>>
>> But for what purpose would you need that ?
>>
>> All programs which use vectors or output1 files have a -p option too and 
>> can handle the splitted files.
>>
>> nluo at uiuc.edu schrieb:
>>> Dear all, 
>>> I noticed that files case.vector and case.output1 are not generated in x lapw1 -p, at least for Wien2k06. Is there a simple option in x lapw1 -p or some other utilities that can combine the case.vector_n (case.output1_n) files into the single case.vector (case.output1) file? 
>>> Thanks in advance, 
>>>
>>>  
>>>
>>> Nie Luo
>>>
>>> Research Assistant Professor
>>> Department of Nuclear, Plasma and Radiological Engineering
>>> University of Illinois at Urbana-Champaign
>>> & Senior Scientist
>>> NPL Associates, Inc
>>>
>>> 103 S Goodwin
>>> Urbana, IL 61801
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> Nie Luo
> 
> Research Assistant Professor
> Department of Nuclear, Plasma and Radiological Engineering
> University of Illinois at Urbana-Champaign
> & Senior Scientist
> NPL Associates, Inc
> 
> 103 S Goodwin
> Urbana, IL 61801
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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