[Wien] Kram for intraband transitions
Kamil Klier ( Faculty/Staff - Professor Emeritus )
kk04 at lehigh.edu
Wed Nov 26 04:10:36 CET 2014
Dear Colleagues,
In the attempt to calculate intra-band transitions, e.g. using switch 6
in *.injoint and option 1 in *.inkram, [Wien2k-14.2, Cu metal with TETRA
101.000], crashes occur in the kram program of the optic sequence, as:
------------------------------------------------------------------------------------
OPTIC END
JOINT DOS END
forrtl: severe (64): input conversion error, unit 10, file
/work/kklier/Cu-opt-nosp/Cu-opt-nosp.joint
Image PC Routine Line
Source
kram 0000000000486E6D Unknown Unknown
Unknown
kram 0000000000485975 Unknown Unknown
Unknown
kram 000000000043F090 Unknown Unknown
Unknown
kram 000000000040B1BA Unknown Unknown
Unknown
kram 000000000040A9B0 Unknown Unknown
Unknown
kram 0000000000421356 Unknown Unknown
Unknown
kram 0000000000403423 MAIN__ 83
kram.f
kram 0000000000402E6C Unknown Unknown
Unknown
libc.so.6 0000003221C1D9C4 Unknown Unknown
Unknown
kram 0000000000402D79 Unknown Unknown
Unknown
------------------------------------------------------------------------------------
The kram program reads input from the file *.joint generated by
preceding program joint, cf. line 83 of kram.f. However, the 1st line
in the *.joint file (generated using switch 6) is missing. This does
not happen when switch 4 is used in *.injoint.
When the file *.joint, generated with switch 6 in *.injoint, is edited
by hand by inserting the 1st line, kram does produce the intra-band
absorption.
Is there a bug in the sequence x optic / x joint / x kram with switch 6,
or can you advise for another user's remedy?
Kamil Klier
Lehigh University
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