<DIV>Sometimes one needs to change case.inst, so it would not be a very good task for init_lapw. </DIV>
<DIV> </DIV>
<DIV>Saeid.</DIV>
<DIV> </DIV>
<DIV><BR><B><I>Jorissen Kevin <Kevin.Jorissen@ua.ac.be></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">This 'problem' seems to occur more often.<BR><BR>Why don't we add a line to init, saying<BR>if (! -e $case.inst) instgen<BR><BR><BR><BR>Kevin Jorissen<BR><BR>EMAT - Electron Microscopy for Materials Science (http://webhost.ua.ac.be/emat/)<BR>Dept. of Physics<BR><BR>UA - Universiteit Antwerpen<BR>Groenenborgerlaan 171<BR>B-2020 Antwerpen<BR>Belgium<BR><BR>tel +32 3 2653249<BR>fax + 32 3 2653257<BR>e-mail kevin.jorissen@ua.ac.be<BR><BR><BR>________________________________<BR><BR>Van: wien-admin@zeus.theochem.tuwien.ac.at namens saeid jalali<BR>Verzonden: do 10-2-2005 8:20<BR>Aan: wien@zeus.theochem.tuwien.ac.at<BR>Onderwerp: Re: [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts<BR><BR><BR>Most likely you do not run first instgen command, do you?<BR><BR>If you start with only case.struct file without using w2web, you need (before runn!
ing
init_lappw) first to run insgen to generate case.inst.<BR><BR>The same problem does not occur using w2web, because struct generator of w2web generates itself case.inst file too.<BR><BR>Your,<BR>Saeid.<BR><BR>"SENAPATI, Laxmidhar" <SENAPL@BERKELEY.EDU>wrote:<BR><BR>Hi Stefaan,<BR>I could not solve this problem. But when i run the w2web, I donot see the same problem. All <BR>initialization scripts fine with w2web in my computer.<BR><BR>Thanks<BR>lax<BR><BR><BR><BR>> somehow lstart does not produce case.in2_st, case.in2 and case.in1 <BR>> though it produces all other files including optional files and some <BR>> other files such as case.in2_sy and case.in2_ls. Could anyone tell me <BR>> what is the problem with it? Infact there is no error messages for it. <BR>> Infact there is error message when I run dstart( for those missing files).<BR><BR>This indicates an error in symmetry (check case.outputs), which in turn<BR>indicates an error in your case.struct. If you!
are
unable to solve it,<BR>report your case.struct to the mailing list, and tell us what kind of<BR>structure you want to produce.<BR><BR>Stefaan<BR><BR><BR><BR><BR>Laxmidhar Senapati<BR>Post Doctoral Fellow<BR>406 Latimer Hall#1460<BR>University of California at Berkeley<BR>Department of Chemistry and Pitzer Center for Theoretical Chemistry<BR>Berkeley, CA 94720<BR>Phone: 510-643-1659<BR>email: senapl@berkeley.edu<BR>senapl@holmium.cchem.berkeley.edu<BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR><BR><BR>________________________________<BR><BR>Do you Yahoo!?<BR>Yahoo! Search presents - Jib Jab's 'Second Term' <HTTP: evt="30648/*http://movies.yahoo.com/movies/feature/jibjabinaugural.html" us.rd.yahoo.com><BR><BR><BR>> ATTACHMENT part 2 application/ms-tnef name=winmail.dat<BR></BLOCKQUOTE><p>
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