[Wien] (no subject)

[sikandar azam]

Dear All
I am doing the initialization, and got this problem

>   lstart      (15:23:50)   SELECT XCPOT:
  recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)
                5: LSDA
               11: WC-GGA (Wu-Cohen 2006)
               19: PBEsol-GGA (Perdew etal. 2008)
13
  SELECT ENERGY to separate core and valence states:
  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
  ALTERNATIVELY: specify charge localization
  (between 0.97 and 1.0) to select core state
-10.3
LSTART ENDS
0.408u 0.000s 0:25.84 1.5%      0+0k 8+5248io 0pf+0w
ERROR !!! nstop,iter,tets,test 28 1 9.999999939225290E-009 nstop,iter,tets,test 28 1 9.999999939225290E-009
You have to change your atomic configuration in Y10Si6O22N2O2.inst
-----> continue with kgen or edit the Y10Si6O22N2O2.inst file and rerun lstart (c/e)
c
-----> in  Case.in1_st  select   RKmax ( usually 5.0 - 9.0 )
-----> in  Case.in2_st  select   LM's, GMAX and Fermi-Energy method
>   inputfiles prepared (15:24:26)
>   kgen        (15:24:26)   NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
50
 length of reciprocal lattice vectors:   0.409   0.409   0.491   3.467   3.467   4.159
           9  k-points generated, ndiv=           3           3           4
KGEN ENDS
0.000u 0.008s 0:04.68 0.0%      0+0k 168+48io 1pf+0w
-----> check in  Case.klist  number of generated K-points
-----> continue with dstart or execute kgen again or exit (c/e/x)
c
>   dstart  -p  (15:24:34) running dstart in single mode
forrtl: severe (24): end-of-file during read, unit 81, file /auto/plzen1/home/azam/azam/Case
dstart             00000000004BB916  Unknown               Unknown  Unknown
dstart             000000000046C7E0  Unknown               Unknown  Unknown
dstart             0000000000433F7F  Unknown               Unknown  Unknown
dstart             0000000000433487  Unknown               Unknown  Unknown
dstart             0000000000448A06  Unknown               Unknown  Unknown
dstart             000000000040F901  init_                     132  init.F
dstart             000000000040E919  MAIN__                     15  dstart.F
dstart             0000000000403E0C  Unknown               Unknown  Unknown
libc.so.6          00002BA724AE8EAD  Unknown               Unknown  Unknown
dstart             0000000000403D09  Unknown               Unknown  Unknown
0.004u 0.040s 0:00.12 33.3%     0+0k 4240+24io 8pf+0w
error: command   /software/wien2k-13.1/wien2k/dstartpara dstart.def   failed

   stop error
with regards
sikander
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