[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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