[Wien] Lapw1 error

[EB Lombardi]

Dear Wien users

I have had a problem with a crash in lapw2 in first SCF cycle with error 
message:

 LAPW0 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
LAPW2 - FERMI; weighs written
PGFIO-F-231/formatted read/unit=1010/error on data conversion.
 File name = ./phos.helpup_1040    formatted, sequential access   record 
= 34
 In source file outp.f, at line number 181
PGFIO-F-231/formatted read/unit=1010/error on data conversion.
 File name = ./phos.helpup_2040    formatted, sequential access   record 
= 34
 In source file outp.f, at line number 181
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot lstat `.in.tmp': No such file or directory
rm: cannot lstat `.in.tmp1': No such file or directory
 >>> (min) status after runsp_lapw -I -fc 1. -i 40 -p\: 9 -> exit


The .helpup_1040 and 2040 files contain lines with ***** :
........
  BAND#   4  E= -3.34806  WEIGHT= 0.0370370
  L= 0   99.99643  ********** 38665.203********************-38353.973
  L= 1    0.00000       0.000     0.000     0.000     0.000     0.000
  L= 2    0.00000       0.000     0.000     0.000     0.000     0.000
  D-EG:   0.00000       0.000     0.000     0.000     0.000     0.000
 D-T2G:   0.00000       0.000     0.000     0.000     0.000     0.000
  L= 3    0.00018       0.000     0.000     0.000     0.000     0.000
  L= 4    0.00000       0.000     0.000     0.000     0.000     0.000
  L= 5    0.00000       0.000     0.000     0.000     0.000     0.000
  L= 6    0.00000       0.000     0.000     0.000     0.000     0.000
.......

Obviously this is the source of the error in lapw2. However, do such 
huge values indicate a 'ghostband'?
If so, how should I go about fixing this?

During initialization an energy separation value of -10 was used in 
lstart due to charge leakage from P, which automatically added an LO to 
*.in1c.

The struct,  in1c and scf1_up files are attached.

Any suggestions would be welcome.

Regards

Enrico Lombardi

-- 
Dr E B Lombardi
Physics Department
University of South Africa
P.O. Box 392
0003 UNISA
South Africa
Tel: +27 (0)12 429-8027
Fax: +27 (0)12 429-3643
e-mail: lombaeb at science.unisa.ac.za

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