[Wien] (no subject)

mouhamed mahdi mouh2009 at gmail.com
Mon Feb 18 13:22:58 CET 2013


Dear Wien2k users,

I am running wien version 12 on a machine of type optiplex GX 520 with
operating system ubuntu, ifor compiler aaa and math
libraries mkl
I am running this case (ZnS.struct)
Title
F   LATTICE,NONEQUIV.ATOMS:  2216_F-43m
MODE OF CALC=RELA unit=ang
 10.339263 10.339263 10.339263 90.000000 90.000000 90.000000
ATOM   1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 1          ISPLIT= 2
Zn         NPT=  781  R0=0.00005000 RMT=    2.4000   Z: 30.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
S          NPT=  781  R0=0.00010000 RMT=    1.9600   Z: 16.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  24      NUMBER OF SYMMETRY OPERATIONS


 using this input (case.in0 using R2V with potential 28 for gap calculation )
i have already tried to update glib and upgrade system but stilll the same error

>   stop error

libc.so.6          40AF94D3  Unknown               Unknown  Unknown
lapw0              0804A371  Unknown               Unknown  Unknown
lapw0              080812F1  MAIN__                    765  lapw0.F
lapw0              080E8C17  Unknown               Unknown  Unknown
lapw0              080D6D5B  Unknown               Unknown  Unknown
lapw0              080D73D7  Unknown               Unknown  Unknown
lapw0              08104D3F  Unknown               Unknown  Unknown
lapw0              081450C5  Unknown               Unknown  Unknown
lapw0              081462CD  Unknown               Unknown  Unknown
Image              PC        Routine            Line        Source
forrtl: severe (24): end-of-file during read, unit 28, file
/home/lpat/WIEN2k/zns-g/zns-g.vrespsum
 LAPW0 END
hup: Command not found.
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