Dear all<br> I am a new user of WIEN2K. I am running wien version WIEN2k_05_1020<br> on a machine of type P4-640, Intel-945G, DDR-II 533 1G, with operating<br> system Edubuntu Linux 5.10, fortran compilerIntel Fortran compiler 9.0<br> and math libraries intel Math Kernel Library 8.0. The material I calculated<br> is PbTe. During my init_lapw, a warring mesage appear manny times. It is<br> "Warning:locale not supported by Xlib, locale set to C".I copy some parts<br> of my init_lapw below:<br> <br> -----> check in pbte.outputnn for overlapping spheres,<br> coordination and nearest neighbor distances<br> Warning: locale not supported by Xlib, locale set to C<br> -----> continue with sgroup or edit the pbte.struct file (c/e)<br> c<br> <br> <br> Number and name of space group: 225 (F m -3 m)<br> Warning: locale not supported by Xlib, locale set to C<br> sgrou!
p has
also produced a new struct file based on your old one.<br> If you see warnings above, consider to use the newly generated<br> struct file, which you can view (edit) now.<br> -----> continue with symmetry or edit pbte.struct_sgroup ? (c/e)<br> > symmetry (22:29:37) 0.005u 0.003s 0:00.03 0.0% 0+0k 0+0io 2pf+0w<br> -----> check in pbte.outputs the symmetry operations,<br> the point symmetries and compare with results from sgroup<br> Warning: locale not supported by Xlib, locale set to C<br> -----> continue with lstart or edit the pbte.struct_st file (c/e/x)<br> <br> <br> check in pbte.outputst how much core charge leaks out<br> eventually you need to select a smaller ECORE or larger spheres<br> Warning: locale not supported by Xlib, locale set to C<br> --!
--->
continue with kgen or edit the pbte.inst file (c/e)<br> c<br> -----> in pbte.in1_st select RKmax ( usually 5.0 - 9.0 )<br> Warning: locale not supported by Xlib, locale set to C<br> -----> in pbte.in2_st select LM's, GMAX and Fermi-Energy method<br> Warning: locale not supported by Xlib, locale set to C<br> -----> in pbte.inm_st Reduce mixing factor and PW-scaling for difficult cases (localized magnetic systems)<br> Warning: locale not supported by Xlib, locale set to C<br> > inputfiles prepared (22:31:13)<br> > kgen (22:31:13) NUMBER OF K-POINTS IN WHOLE CELL:<br> <br> <br> -----> check in pbte.klist number of generated K-points<br> Warning: locale not supported by Xlib, locale set to C<br> -----> continue with dstart or execute kgen again or exit (c/e/x)<br> c<br> >
dstart (22:31:31) time in rgen 1.999999999999999E-002<br> DSTART ENDS<br> 0.270u 0.007s 0:00.35 77.1% 0+0k 0+0io 1pf+0w<br> -----> check in pbte.outputd if gmax > gmin, normalization<br> Warning: locale not supported by Xlib, locale set to C<br> -----> do you want to perform a spinpolarized calculation ? (n/y)<br> <br> <br> select the direction of the moment ( h k l ) (For R-lattice in R coordinates)<br> select atoms for which a Relativistic-LO should be added (heavier elements)<br> or SO should be switched off (light elements)<br> Warning: locale not supported by Xlib, locale set to C<br> Edit input file pbte.in1<br> select a larger emax value for the energy window in pbte.in1<br> Warning: locale not supported by Xlib, locale set to C<br> The file pbte.in2c has been generated automatically<br> <br> <br> Wh!
en I
calculate TiC, the question is the same as PbTe.It seems that the<br> result is not affected by that Warrning message, But I can not comfirm it.<br> <br> My question is what does "Warrning: locale not supported by Xlib, locale set to C" imply? how I can eliminate it in my computing courses. <br> <br> Joey Davis <br> <p>
<hr size=1>New <a href="http://us.rd.yahoo.com/mail_us/taglines/postman4/*http://us.rd.yahoo.com/evt=39666/*http://beta.messenger.yahoo.com ">Yahoo! Messenger with Voice.</a> Call regular phones from your PC for low, low rates.