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

[nluo@uiuc.edu]

Super duper Peter:-)

---- Original message ----
>Date: Wed, 21 May 2008 08:33:45 +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>
>
>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
>--------------------------------------------------------------------------
>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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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