[Wien] init_lapw problem of a surface structure
archieve mail
yhzhao.mail at gmail.com
Wed Jan 4 07:17:06 CET 2012
Dear Blaha,
I have a question about the init_lapw of a surface structure.
When init_lapw, it failed to generate in2_st file while kgen, with
following error message.
---------------------------------------------------------------------------------------------------------------------------------
LSTART ENDS
0.3u 0.0s 0:02.31 16.4% 0+0k 0+1544io 0pf+0w
-----> continue with kgen or edit the test.inst file and rerun lstart (c/e)
c
-----> in test.in1_st select RKmax ( usually 5.0 - 9.0 )
-----> in test.in2_st select LM's, GMAX and Fermi-Energy method
> inputfiles prepared (13:31:45)
> kgen (13:31:45) forrtl: severe (24): end-of-file during read, unit
20, file /home/yhzhao/work/GeTe/111/surface/test/test.struct
Image PC Routine Line
Source
kgen 0000000000489BEA Unknown Unknown Unknown
kgen 0000000000488765 Unknown Unknown Unknown
kgen 000000000045F866 Unknown Unknown Unknown
kgen 0000000000450D65 Unknown Unknown Unknown
kgen 0000000000450521 Unknown Unknown Unknown
kgen 000000000041C209 Unknown Unknown Unknown
kgen 00000000004038E0 Unknown Unknown Unknown
kgen 000000000040320C Unknown Unknown Unknown
libc.so.6 00002AF6D7F7BEFF Unknown Unknown Unknown
kgen 0000000000403109 Unknown Unknown Unknown
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/yhzhao/wien2k11/kgen kgen.def failed
---------------------------------------------------------------------------------------------------------------------------------
I'm look forward to hear from you.
Best,
Yonghong Zhao
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