[Wien] I/O syntax error in B_ext calculation

Muhammad Sajjad sajjadpu at gmail.com
Sat Sep 5 15:12:11 CEST 2015


Dear Users
I am running scf for Ba2CoSi2O7. simply I run
1. init_lapw
2. applied B_ext of 5T in case.inorb file.
3. run the command line runsp_lapw -p -orb -cc 0.001 -ec 0.001

I came across the following error
forrtl: severe (59): list-directed I/O syntax error, unit 5, file
/scratch/sajjadm/work/EFG/mfieldBaCoGeO/001B/001B.inorb
Image              PC                Routine            Line        Source

orb                00000000004A99DD  Unknown               Unknown  Unknown
orb                00000000004A84E5  Unknown               Unknown  Unknown
orb                00000000004557D0  Unknown               Unknown  Unknown
orb                000000000041C5CA  Unknown               Unknown  Unknown
orb                000000000041BDC0  Unknown               Unknown  Unknown
orb                000000000043C20B  Unknown               Unknown  Unknown
orb                0000000000439D5A  Unknown               Unknown  Unknown
orb                000000000040D7E0  init_                     193  init.f
orb                00000000004039F9  MAIN__                    103  main.f
orb                000000000040341C  Unknown               Unknown  Unknown
libc.so.6          000000398E81ECDD  Unknown               Unknown  Unknown
orb                0000000000403319  Unknown               Unknown  Unknown

The case.inorb file is
 3  1  0                     nmod, natorb, ipr
PRATT  1.0                    BROYD/PRATT, mixing
  1 1 2                       iatom nlorb, lorb
  2 1 2                       iatom nlorb, lorb
  5.                          Bext
  0. 0. 1.                    direction

I did not run a regular scf before applying B_ext. Is it necessary ??
-- 
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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