[Wien] A SCF mistake

[zhgh at theory.issp.ac.cn]

Dear wien users,
    For the case of 2x2x2 supercell of GaAs doped Mn in octaheral interspace,
I run the spin-polarized SCF calculation. But the "LAPW2 crashed!" occured
in the process and
.in.tmp - No such file or directory
Cannot access .in.tmp: No such file or directory
Cannot access .in.tmp1: No such file or directory

The uplapw2.error file:

'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :  -6.52283
 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   :   0.00000
 'FERMI' - ENERGY OF UPPER BOUND                 :   0.24178
 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   :1000.00000
 'FERMI' - ADD 1000.00000
 'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0001.0000.781
 'FERMI' - NOS **************************************************
**  testerror: Error in Parallel LAPW2

Because of these mistakes above, the calculation didn't continue.
Would you please give me a way to solve the problem?

Thanks any help!


-- 
=====================================================
Mr. GuoHua Zhong
Address:
    Key Laboratory of Materials Physics,Institute
    of Solid State Physics, Chinese Academy of Sciences
    Hefei, Anhui P.O.Box 1129, 230031 P. R. China
Telephone:
    86-551-5591464 (Office)
E-Mail:
    zhgh at theory.issp.ac.cn