Thank you sir. I have not followed that step. I will do it and write you back .
On Tue, Sep 29, 2015 at 12:00 PM, Peter Blaha <pbl...@theochem.tuwien.ac.at> wrote: > After lapw1 and BEFORE lapw2 you need: > > x lapwso -up -p > > On 09/29/2015 06:30 AM, Paresh Chandra Rout wrote: > >> First of all thank you very much sir for replying me . I have run lapw1 >> -up -p and lapw1 -dn -p before entering into the lapw2 as you per your >> suggestion in archive. Still I am facing the same problem . But I would >> like to let you know that >> I have run x *lapw1 -up -p *and**x*lapw1 -dn -p *through job script >> first then enter into the lapw2 . >> Kindly help me sir. >> >> Kind regards >> Paresh >> >> On Tue, Sep 29, 2015 at 4:24 AM, Gavin Abo <gs...@crimson.ua.edu >> <mailto:gs...@crimson.ua.edu>> wrote: >> >> Did you run the lapw1 steps before that [ >> >> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11340.html >> ]? >> >> >> On 9/28/2015 8:01 AM, Paresh Chandra Rout wrote: >> >>> Dear all, >>> While doing *DOS* calculation in *spin-orbit coupling *case, I >>> encounter with an error with message >>> running LAPW2 in parallel mode >>> *calculating QTL's from parallel vectors* >>> *FERMI - Error* >>> 0.201u 0.051s 0:00.39 64.1%0+0k 0+8io 0pf+0w >>> >>> I ran all the command prompt systematically but for >>> *x lapw2 -p -up -so -qtl * case I am face the above error. >>> >>> >>> Is there any mistake that I am making or am I missing something ? >>> Kindly give me some suggestion . >>> >>> Thanking you in advance ! >>> >>> Kind Regards >>> Paresh Chandra Rout >>> Research Scholar >>> Indian Institute of Science Education and Reseach Bhopal >>> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at <mailto: >> Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> >> > -- > > P.Blaha > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 > Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php > -------------------------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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