[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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