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/ >-------------------------------------------------------------------------- >_______________________________________________ >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
