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Dear all, <br>
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I am trying to calculate the absorption spectrum using the turbo_eels.x toolset . My system is metallic and has noncollinear spin-orbit coupling switched on, which means I cannot use neither turbo_davidson nor turbo_lanczos. For that matter , my turbo_eels
input is :<br>
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&lr_input
<div>prefix='pds'</div>
<div>outdir='/'</div>
<div>restart_step=50</div>
<div>restart=.false.</div>
<div>/</div>
<div>&lr_control</div>
<div>calculator='lanczos'</div>
<div>itermax=500</div>
<div>q1=0.001</div>
<div>q2=0.000</div>
<div>q3=0.000</div>
<span>/</span></div>
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<span>The code starts by doing an nscf calculation but , right after that, it crashes. Looking at the error file, I found the following:</span></div>
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<span>program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
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<span>
<div>Backtrace for this error:</div>
<div>#0 0x2B22A841FB97</div>
<div>#1 0x2B22A841ED90</div>
<div>#2 0x2B22A906091F</div>
<div>#3 0x2B22A90B1C76</div>
<div>#4 0x40DD8C in lr_alloc_init_</div>
<div>#4 0x40DD8C in lr_alloc_init_</div>
<div>#4 0x40DD8C in lr_alloc_init_</div>
<div>#5 0x404CFE in MAIN__ at lr_eels_main.f90:113</div>
#5 0x404CFE in MAIN__ at lr_eels_main.f90:113</span></div>
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<span>.</span></div>
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<span>.</span></div>
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<span>.</span></div>
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<span>#5 0x404CFE in MAIN__ at lr_eels_main.f90:113
<div>#0 0x2AC6091BCB97</div>
<div>#1 0x2AC6091BBD90</div>
<div>#5 0x404CFE in MAIN__ at lr_eels_main.f90:113</div>
<div>#2 0x2AC609DFD91F</div>
<div>#3 0x2AC609E4EC76</div>
<div>#4 0x40DD8C in lr_alloc_init_</div>
<div>#5 0x404CFE in MAIN__ at lr_eels_main.f90:113</div>
<span>#5 0x404CFE in MAIN__ at lr_eels_main.f90:113</span></span></div>
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<span><span><br>
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<span><span>Can anyone please let me know how to circumvent this error?</span></span></div>
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<span><span>Thanks in advance</span></span></div>
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<span><span><br>
</span></span></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<span><span>Elie Moujaes</span></span></div>
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<span><span>Federal University of Rondonia</span></span></div>
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<span><span>Portyo Velho</span></span></div>
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<span><span>Brazil<br>
</span></span></div>
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