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