[Wien] Broadening error in TELNES3

[Atsushi Yamaguchi]

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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