<meta http-equiv="Content-Type" content="text/html; charset=utf-8"><div dir="ltr"><div><div><div><div><div>Dear WIEN2k users<br><br></div>I have done a GGA+U+SO calculation. After its convergence, calculated dos followed by bandstructure successfully. Sir, after that I again tried to calculate dos after bandstructure. For that I have done <b>x kgen</b> followed by <b>runsp_lapw -orb -so -p -NI</b> but I got the following error:<br><br><br>[saurabh@saurabh cdcr2s4ggau]$ runsp_lapw -orb -so -p -NI<br> LAPW0 END<br> ORB   END<br> ORB   END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br>LAPWSO END<br>LAPWSO END<br>LAPWSO END<br>LAPW2 - FERMI; weighs written<br>LAPW2 - FERMI; weighs written<br>LAPWDM END<br>LAPWDM END<br>LAPWDM END<br>forrtl: No such file or directory<br>forrtl: severe (29): file not found, unit 21, file /home/saurabh/WIEN2k/cdcr2s4ggau/cdcr2s4ggau.scf2up_1<br>Image              PC                Routine            Line        Source             <br>sumpara            00000000004999AE  Unknown               Unknown  Unknown<br>sumpara            0000000000498446  Unknown               Unknown  Unknown<br>sumpara            0000000000455872  Unknown               Unknown  Unknown<br>sumpara            000000000041961C  Unknown               Unknown  Unknown<br>sumpara            0000000000418B3C  Unknown               Unknown  Unknown<br>sumpara            0000000000425978  Unknown               Unknown  Unknown<br>sumpara            0000000000412F19  scfsum_                   126  scfsum.f<br>sumpara            000000000041058E  MAIN__                    219  sumpara.f<br>sumpara            000000000040314C  Unknown               Unknown  Unknown<br>libc.so.6          000000333A42169D  Unknown               Unknown  Unknown<br>sumpara            0000000000403049  Unknown               Unknown  Unknown<br> CORE  END<br> CORE  END<br> MIXER END<br>in cycle 2    ETEST: 192.7057347450000000   CTEST: 5.5420564<br> LAPW0 END<br> ORB   END<br> ORB   END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br>LAPWSO END<br>LAPWSO END<br>LAPWSO END<br>LAPW2 - FERMI; weighs written<br>LAPW2 - FERMI; weighs written<br>LAPWDM END<br>LAPWDM END<br>LAPWDM END<br>forrtl: No such file or directory<br>forrtl: severe (29): file not found, unit 21, file /home/saurabh/WIEN2k/cdcr2s4ggau/cdcr2s4ggau.scf2up_1<br>Image              PC                Routine            Line        Source             <br>sumpara            00000000004999AE  Unknown               Unknown  Unknown<br>sumpara            0000000000498446  Unknown               Unknown  Unknown<br>sumpara            0000000000455872  Unknown               Unknown  Unknown<br>sumpara            000000000041961C  Unknown               Unknown  Unknown<br>sumpara            0000000000418B3C  Unknown               Unknown  Unknown<br>sumpara            0000000000425978  Unknown               Unknown  Unknown<br>sumpara            0000000000412F19  scfsum_                   126  scfsum.f<br>sumpara            000000000041058E  MAIN__                    219  sumpara.f<br>sumpara            000000000040314C  Unknown               Unknown  Unknown<br>libc.so.6          000000333A42169D  Unknown               Unknown  Unknown<br>sumpara            0000000000403049  Unknown               Unknown  Unknown<br> CORE  END<br> CORE  END<br> MIXER END<br>in cycle 3    ETEST: 96.3578663300000000   CTEST: 5.5429002<br> LAPW0 END<br>                                                        .<br>                                                        .<br><br></div>Plz guide for the detail steps for the stated purpose.<br><br></div>With Regards<br></div>Saurabh Samanta<br></div></div>