[Wien] (no subject)

[saurabh samant]

Dear WIEN2k users

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 *x kgen* followed
by *runsp_lapw -orb -so -p -NI* but I got the following error:


[saurabh at saurabh cdcr2s4ggau]$ runsp_lapw -orb -so -p -NI
 LAPW0 END
 ORB   END
 ORB   END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
LAPWSO END
LAPWSO END
LAPWSO END
LAPW2 - FERMI; weighs written
LAPW2 - FERMI; weighs written
LAPWDM END
LAPWDM END
LAPWDM END
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 21, file
/home/saurabh/WIEN2k/cdcr2s4ggau/cdcr2s4ggau.scf2up_1
Image              PC                Routine            Line
Source
sumpara            00000000004999AE  Unknown               Unknown  Unknown
sumpara            0000000000498446  Unknown               Unknown  Unknown
sumpara            0000000000455872  Unknown               Unknown  Unknown
sumpara            000000000041961C  Unknown               Unknown  Unknown
sumpara            0000000000418B3C  Unknown               Unknown  Unknown
sumpara            0000000000425978  Unknown               Unknown  Unknown
sumpara            0000000000412F19  scfsum_                   126  scfsum.f
sumpara            000000000041058E  MAIN__                    219
sumpara.f
sumpara            000000000040314C  Unknown               Unknown  Unknown
libc.so.6          000000333A42169D  Unknown               Unknown  Unknown
sumpara            0000000000403049  Unknown               Unknown  Unknown
 CORE  END
 CORE  END
 MIXER END
in cycle 2    ETEST: 192.7057347450000000   CTEST: 5.5420564
 LAPW0 END
 ORB   END
 ORB   END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
LAPWSO END
LAPWSO END
LAPWSO END
LAPW2 - FERMI; weighs written
LAPW2 - FERMI; weighs written
LAPWDM END
LAPWDM END
LAPWDM END
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 21, file
/home/saurabh/WIEN2k/cdcr2s4ggau/cdcr2s4ggau.scf2up_1
Image              PC                Routine            Line
Source
sumpara            00000000004999AE  Unknown               Unknown  Unknown
sumpara            0000000000498446  Unknown               Unknown  Unknown
sumpara            0000000000455872  Unknown               Unknown  Unknown
sumpara            000000000041961C  Unknown               Unknown  Unknown
sumpara            0000000000418B3C  Unknown               Unknown  Unknown
sumpara            0000000000425978  Unknown               Unknown  Unknown
sumpara            0000000000412F19  scfsum_                   126  scfsum.f
sumpara            000000000041058E  MAIN__                    219
sumpara.f
sumpara            000000000040314C  Unknown               Unknown  Unknown
libc.so.6          000000333A42169D  Unknown               Unknown  Unknown
sumpara            0000000000403049  Unknown               Unknown  Unknown
 CORE  END
 CORE  END
 MIXER END
in cycle 3    ETEST: 96.3578663300000000   CTEST: 5.5429002
 LAPW0 END
                                                        .
                                                        .

Plz guide for the detail steps for the stated purpose.

With Regards
Saurabh Samanta
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