Dear Wien2k users community,
I am facing problem when running NM for semiconductor, I got these errors for running and some lines are listed below: x_nmr_lapw -mode in1 :WARNINIG ATOM= 1 L= 2 HIGH OVERLAP between radial functions 0.85 setting new lo energy: 0.30:WARNINIG ATOM= 1 L= 2 HIGH OVERLAP between radial functions 0.70 setting new lo energy: 0.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.99 setting new lo energy: 0.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.99 setting new lo energy: 0.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.98 setting new lo energy: 1.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.96 setting new lo energy: 1.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.95 setting new lo energy: 2.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.93 setting new lo energy: 2.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.90 setting new lo energy: 3.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.87 setting new lo energy: 3.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.84 setting new lo energy: 4.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.80 setting new lo energy: 4.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.76 setting new lo energy: 5.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.72 setting new lo energy: 5.80:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.67 setting new lo energy: 6.30:WARNINIG ATOM= 2 L= 0 HIGH OVERLAP between radial functions 0.63 setting new lo energy: 6.80 NUMBER OF RADIAL FUNCTIONS IN case.in1_nmrATOM L=0 L=1 L=2 L=3 1 9 9 10 9 2 10 9 9 x_nmr_lapw -p gn/nmr_q0/./tmpsshc4w1: line 2: syntax error near unexpected token `makescratch_lapw' gn/nmr_pqx/./tmpsshc4w12: line 2: syntax error near unexpected token `makescratch_lapw' gn/nmr_mqz/./tmpsshc4w29: line 2: syntax error near unexpected token `makescratch_lapw' gn/gn.xim_1Image PC Routine Line Source nmrc 0000000001510344 Unknown Unknown Unknownnmrc 00000000015361E0 Unknown Unknown Unknownnmrc 000000000049DAF5 sumpara_ 38 sumpara.fnmrc 0000000000413DA9 MAIN__ 35 nmr.fnmrc 0000000000400FEE Unknown Unknown Unknownnmrc 00000000015BACC1 Unknown Unknown Unknownnmrc 0000000000400ED1 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 54, file /lustre/scratch/tmp/x_larefa/gan/gn/gn.current_int_xImage PC Routine Line Source nmrc 0000000001510344 Unknown Unknown Unknownnmrc 0000000001531F03 Unknown Unknown Unknownnmrc 00000000004411FB read_current_int_ 80 read_current_tmp_.Fnmrc 000000000045E2C3 integrate_current 34 integrate_current_tmp_.Fnmrc 0000000000413E8C MAIN__ 44 nmr.fnmrc 0000000000400FEE Unknown Unknown Unknownnmrc 00000000015BACC1 Unknown Unknown Unknownnmrc 0000000000400ED1 Unknown Unknown Unknown I would be thankful for your suggestion and answer to solve the problem. Looking forward your answer. Halim Said
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