Dear WIEN2k users,
An error occurs in x broadening of TELNES3 in WIEN2k_16.1.
The details of the error are as follows.
0 lines 1014 lines
forrtl: severe (59): list-directed I/O syntax error, unit 47, file
/net/h86/WIEN2k/STO-test/STO-test.elnes
Image PC Routine Line Source
broadening 000000000042A94A Unknown Unknown Unknown
broadening 0000000000428547 Unknown Unknown Unknown
broadening 0000000000404B9B MAIN__ 201
broadening.f
broadening 0000000000403156 Unknown Unknown Unknown
libc.so.6 000000321B41ED1D Unknown Unknown Unknown
broadening 0000000000403059 Unknown Unknown Unknown
0.000u 0.012s 0:00.01 100.0% 0+0k 0+16io 0pf+0w
error: command /net/h86/home/wien16/WIEN/broadening broadening.def
failed
The case.inb file is as follows.
O-K edge of STO
ELNES
1 1 0
0.0 1.0 0.0
0.1558639190 0.1558639190
1 0.0000000000
0.1
dummy
0.00
0.000
0.0
Note that x telnes3 is executed successfully, and the ELNES spectrum of
unbroaded appears in the plot.
What causes an error?
Thank you.
A. Yamaguchi
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