[Wien] Heusler alloy in presence of external magnetic field

[shamik chakrabarti]

Dear wien2k users,

                    We were trying to simulate the properties of a Heusler
alloy in presence of external magnetic field. Consequently, we have edited
the input file case.inorb as shown below:

 3  2  0                     nmod, natorb, ipr
PRATT  1.0                    BROYD/PRATT, mixing
  1 1 2                          iatom nlorb, lorb
  2 1 2                          iatom nlorb, lorb
  0.1.                             Bext in T
  0. 0. 1.                         direction of Bext in terms of lattice
vectors

However, after first cycle an error appeared as fllows;

forrtl: severe (59): list-directed I/O syntax error, unit 5, file
/home/akdas/Srimanta/CFG_mag/CFG_mag.inorb
Image              PC                Routine            Line        Source

orb                00000000004403FA  Unknown               Unknown  Unknown
orb                000000000043DFF7  Unknown               Unknown  Unknown
orb                000000000040D590  init_                     188  init.f
orb                0000000000403A81  MAIN__                    103  main.f
orb                00000000004031F6  Unknown               Unknown  Unknown
libc.so.6          0000003E0FC1ED1D  Unknown               Unknown  Unknown
orb                00000000004030E9  Unknown               Unknown  Unknown

>   stop error

We guess there is some problem in our provided format of the input file!

Any response in this regard will be helpful for us. Thanks in advance,

with regards,
-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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