<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">thanks for your quick reply<BR><BR>From: Dr. T. P. Sinha<BR>Department of Physics<BR>Bose Institute<BR>93/1, Acharya Prafulla Chandra Road<BR>Kolkata - 700009, India<BR>Cell No. 09830159422<BR><BR>--- On <B>Mon, 5/11/12, Peter Blaha <I><pblaha@theochem.tuwien.ac.at></I></B> wrote:<BR>
<BLOCKQUOTE style="BORDER-LEFT: rgb(16,16,255) 2px solid; PADDING-LEFT: 5px; MARGIN-LEFT: 5px"><BR>From: Peter Blaha <pblaha@theochem.tuwien.ac.at><BR>Subject: Re: [Wien] MBJ- for spin-polarized case<BR>To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at><BR>Date: Monday, 5 November, 2012, 2:00 PM<BR><BR>
<DIV class=plainMail>use runsp<BR><BR>Am 05.11.2012 09:17, schrieb tripurari sinha:<BR>> Dear Prof. Cottnier<BR>> I have done the MBJ calculation for a simple perovskite system without spin-polarization successfully. But when I tried for the spin-polarized case for the same system it shows an<BR>> error after running the following line:<BR>> run_lapw -NI -i 1<BR>> The error is<BR>> Error in LAPW1<BR>> "INILPW' - can't open unit :18<BR>> 'INILPW' - filename : case.vsp<BR>> 'INILPW"- status:old form: formatted<BR>> 'LAPW1' -INILPW aborted unsuccessfully.<BR>> Is this possible to do the MBJ calculation for a spin-polarized case.<BR>> Please help me to resolve this problem.<BR>> With kind regards<BR>> T. P. Sinha<BR>><BR>><BR>> From: Dr. T. P. Sinha<BR>> Department of Physics<BR>> Bose Institute<BR>> 93/1, Acharya Prafulla Chandra Road<BR>>
Kolkata - 700009, India<BR>> Cell No. 09830159422<BR>><BR>><BR>><BR>> _______________________________________________<BR>> Wien mailing list<BR>> <A href="http://in.mc1106.mail.yahoo.com/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR>> <A href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR>><BR><BR>-- <BR><BR> P.Blaha<BR>--------------------------------------------------------------------------<BR>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<BR>Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<BR>Email: <A
href="http://in.mc1106.mail.yahoo.com/mc/compose?to=blaha@theochem.tuwien.ac.at" ymailto="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</A> WWW: <A href="http://info.tuwien.ac.at/theochem/" target=_blank>http://info.tuwien.ac.at/theochem/</A><BR>--------------------------------------------------------------------------<BR>_______________________________________________<BR>Wien mailing list<BR><A href="http://in.mc1106.mail.yahoo.com/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR><A href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR></DIV></BLOCKQUOTE></td></tr></table>