[Wien] i/O BUFFER CASE.HELP032

li wf liwanf at hotmail.com
Tue Dec 13 01:48:49 CET 2005


Dear all,

     i have performed a calculation successfully, and in order to get 
better linearization energy and LOs, i performed another calculation with 
the switch -in1new 3 , but an error happened after several scfs. the 
massege is listed bellow:

Input/Output Error 148: Invalid character

   In Procedure: outp
        At Line: 179

      Statement: Formatted READ
           Unit: 1002
   Connected To: ./Fe2Ge3-auto.help032
           Form: Formatted
         Access: Sequential
Records Read   : 1348
Records Written: 0

Current I/O Buffer:

  L= 0   47.26906  ********** 27228.082********************-27308.101
                   !


End of diagnostics

and i checked the help032 file. it is true that from line 1348 a special 
line with *********** appear every 15 lines as shown bellow:

  BAND#  84  E= -1.06620  WEIGHT= 0.0188902
  L= 0    0.00005       7.573     0.010     7.557    -7.560    -0.010
  L= 1    0.00561       0.005     0.000     0.000     0.000     0.000
    PX:   0.00003       0.000     0.000     0.000     0.000     0.000
    PY:   0.00017       0.000     0.000     0.000     0.000     0.000
    PZ:   0.00541       0.005     0.000     0.000     0.000     0.000
  L= 2    0.00083       0.054     0.002     0.068    -0.059    -0.002
   DZ2:   0.00000       0.002     0.000     0.002    -0.002     0.000
 DX2Y2:   0.00001       0.001     0.000     0.001    -0.001     0.000
   DXY:   0.00010       0.001     0.000     0.001    -0.001     0.000
   DXZ:   0.00014       0.008     0.000     0.010    -0.008     0.000
   DYZ:   0.00058       0.042     0.001     0.054    -0.047    -0.002
  L= 3    0.00195       0.002     0.000     0.000     0.000     0.000
  L= 4    0.00007       0.000     0.000     0.000     0.000     0.000
  L= 5    0.00011       0.000     0.000     0.000     0.000     0.000
  L= 6    0.00009       0.000     0.000     0.000     0.000     0.000
  BAND#  85  E= -0.77038  WEIGHT= 0.0188902
  L= 0   47.26906  ********** 27228.082********************-27308.101
  L= 1    0.00002       0.000     0.000     0.000     0.000     0.000
    PX:   0.00000       0.000     0.000     0.000     0.000     0.000
    PY:   0.00000       0.000     0.000     0.000     0.000     0.000
    PZ:   0.00001       0.000     0.000     0.000     0.000     0.000
  L= 2    0.00396      10.322     0.495    10.455   -10.143    -0.491
   DZ2:   0.00354      10.114     0.485    10.235    -9.935    -0.481
 DX2Y2:   0.00041       0.137     0.007     0.147    -0.139    -0.007
   DXY:   0.00000       0.016     0.001     0.016    -0.015    -0.001
   DXZ:   0.00000       0.021     0.001     0.021    -0.021    -0.001
   DYZ:   0.00000       0.034     0.002     0.035    -0.034    -0.002
  L= 3    0.00068       0.000     0.000     0.000     0.000     0.000
  L= 4    0.00157       0.001     0.000     0.000     0.000     0.000
  L= 5    0.00064       0.001     0.000     0.000     0.000     0.000
  L= 6    0.00146       0.001     0.000     0.000     0.000     0.000

so, what is the matter?

   thank you in advance.

   best regards,

wane

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