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<div>hello<br>I work with wien2k_09<br>I study Ga2O3, I choose RMT automatically with 1 percent.<br>in lstart'process first I select -6.0 RY(energy to separate core and valance state)and 13:PBE-GGA<br>but I take this warning<br>
:WARNING: 2.583 Ga CORE electrons leak out of MT-sphere !!!<br>:WARNING: Rerun lstart with lower E-core separation energy (or increase sphere size)<br>:WARNING: ORBITAL: 3S -10.865 -10.864<br>:WARNING: ORBITAL: 3P* -7.425 -7.423<br>
:WARNING: ORBITAL: 3P -7.158 <br>then I change -6.0 to -11.0 RY but I take this error<br>error: command /root/wien2k/lstart lstart.def failed<br>I attach Ga2O3 error</div>
<div>please guid me<br>--------------------------------------------------------------------<br> Commandline: x lstart<br>Program input is: "13 -11.0 "<br>SELECT XCPOT:<br>recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)<br>
5: LSDA<br>11: WC-GGA (Wu-Cohen 2006)<br>19: PBEsol-GGA (Perdew etal. 2008)<br>SELECT ENERGY to separate core and valence states:<br>recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)<br>SELECT ENERGY to separate core and valence states:<br>
recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)<br>forrtl: severe (24): end-of-file during read, unit -4, file stdin<br>Image PC Routine Line Source <br>lstart 00000000004ACDC1 Unknown Unknown Unknown<br>
lstart 00000000004ABD95 Unknown Unknown Unknown<br>lstart 000000000045C60A Unknown Unknown Unknown<br>lstart 0000000000425D55 Unknown Unknown Unknown<br>lstart 000000000042554A Unknown Unknown Unknown<br>lstart 00000000004427D1 Unknown Unknown Unknown<br>
lstart 0000000000440500 Unknown Unknown Unknown<br>lstart 000000000040F050 MAIN__ 64 lstart.f<br>lstart 000000000040340C Unknown Unknown Unknown<br>libc.so.6 0000003428A1D974 Unknown Unknown Unknown<br>lstart 0000000000403319 Unknown Unknown Unknown<br>
0.000u 0.004s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>error: command /root/wien2k/lstart lstart.def failed<br> ------------------------------------------------------------------------------</div>