<div dir="ltr"><div>Dear All WIEN2k Users,<br><br><br></div>i am using WIEN2k code for study of Heusler alloys Fe2MnSi on GaAs (100) substate. i attache case.struct & case.klist file. i give 100 k-mesh points which gives 9 k-point. following error occured in LAPW2 after 3 cycle of SCF calculation. is k-point sufficient for this structure. RMT reduced by 3% and RMT*Kmax is 7.00.<br>
<br><div><div><div>Error in LAPW2<br> 'FERMI' - EFERMI OUT OF ENERGY RANGE<br> 'FERMI' - STOP IN EFI<br> 'FERMI' - ENERGY OF LOWER BOUND : 0.69642 <br> 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND : 202.65201 <br>
'FERMI' - ENERGY OF UPPER BOUND : 0.69642 <br> 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND : 202.67979 <br> 'FERMI' - ADD 201.66667 <br>
'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0000.0000.000 <br> 'FERMI' - NOS ************************************************** <br><br></div><div><br></div><div><br></div><div>
<br></div>-- <br><div dir="ltr"><div style="text-align:left">Warm Regards,<br>Vivek Kumar Jain<br></div><div style="text-align:left">Department of Physics<br>
MLSU Udaipur<br></div><div style="text-align:left">08824670200</div></div>
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