[Wien] (no subject)

Jiayi Wu jiayi_wu1009 at yahoo.com
Thu Apr 16 07:42:00 CEST 2015


Dear wien2k users:
I am a new Wien2k user . I am running version 13.1 on debian7.7.0 compiling with gfortran. The purpose of my calculations is to get the DOS of Fe2CrAl including the spin-orbit coupling. I am following the user guide for this calculation.
runsp_lapw
save_lapw case_nrel
initso_lapw
runsp_lapw -so

There are the case.inso
WFFIL
 4  1  0                      llmax,ipr,kpot 
 -10.0000   10.00000           emin,emax (output energy window)
   1.  1.  1.                 direction of magnetization (lattice vectors)
 2                           number of atoms for which RLO is added
 1   -4.97      0.0005      atom number,e-lo,de (case.in1), repeat NX times
 3   -4.97      0.0005      atom number,e-lo,de (case.in1), repeat NX times
 2 2,4                    number of atoms for which SO is switch off; atoms


But, it happens after I was running runsp_lapw -so . Checking the STDOUT I have the following:

hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP LAPWSO END
STOP  LAPW2 END
STOP  LAPW2 END
STOP  CORE  END
STOP  CORE  END
At line 968 of file mixer.F (unit = 22, file = 'FeCrAlSi.scf')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE

>   stop errorHave tried many methods, but those did not work. I do not know where was wrong and how should I do. Please help me, thanks!

Jiayi

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