<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div><div>Dear Peter Sir and any Expert in the form,<br></div><div>Before writing this error I have searched the forum and FAQ and really do not find a way to overcome the issue. On FAQ you have written a nice explanation but I failed to understand it. The most efficient method I found in the past reduction of rmt but now it is also not solving my error. I also used -in1new 2 option with "run_lapw ... -min" command. <g class="gr_ gr_1583 gr-alert gr_spell gr_inline_cards gr_run_anim ContextualSpelling ins-del multiReplace" id="1583" data-gr-id="1583">Itried</g> to change all 0.30 in case.in1 by 0.80 but it was not helpful,<br></div><div><br></div><div><br></div>The error is coming for Cubic perovskite when I optimize the structure with "run_lapw ....-min" option (while with min_lapw I am not getting any error).<div><br></div><div> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br>** Error in Parallel LAPW1<br>** LAPW1 STOPPED at Mon Jan 29 01:28:36 IST 2018<br>** check ERROR FILES!<br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br> 'SELECT' - no energy limits found for atom 2 L= 1 <br> 'SELECT' - E-bottom -200.00000 E-top -200.00000 <br><br></div><div><br></div><div>As the error comes from lapw1 so below is scf1 data;</div><div><br></div><div>cat *.scf1 gives</div><div><br></div><g class="gr_ gr_784 gr-alert gr_gramm gr_inline_cards gr_run_anim Style replaceWithoutSep" id="784" data-gr-id="784">:LMAX-WF</g>: 10 Non-Spherical LMAX: 4<br><br> ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Cs <br>:e__0001: OVERALL ENERGY PARAMETER IS 0.3000<br> OVERALL BASIS SET ON ATOM IS LAPW<br>:E2_0001: E( 2)= 0.3000<br> APW+lo<br>:E2_0001: E( 2)= -2.6539 E(BOTTOM)= -3.027 E(TOP)= -2.281 1 2 340<br> LOCAL ORBITAL<br>:E0_0001: E( 0)= 0.7000<br> APW+lo<br>:E0_0001: E( 0)= -2.3380 E(BOTTOM)= -3.764 E(TOP)= -0.912 4 5 248<br> LOCAL ORBITAL<br>:E1_0001: E( 1)= 0.7000<br> APW+lo<br>:E1_0001: E( 1)= -1.3099 E(BOTTOM)= -3.057 E(TOP)= 0.437 3 4 276<br> LOCAL ORBITAL<br><br> ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Sn <br>:e__0002: OVERALL ENERGY PARAMETER IS 0.3000<br> OVERALL BASIS SET ON ATOM IS LAPW<br>:E1_0002: E( 1)= 0.3000<br><div> APW+lo</div><div><br></div><div><br></div><div><br></div><div>Below id mu case.in1</div><div><br></div><div><br></div><div>WFFIL EF= 0.50000 (WFFIL, WFPRI, ENFIL, SUPWF)<br> 7.00 10 4 (R-MT*K-MAX; MAX L IN WF, V-NMT<br> 0.30 6 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW)<br> 2 0.30 0.0000 CONT 1<br> 2 -5.07 0.0001 STOP 1<br> 0 0.30 0.0000 CONT 1<br> 0 -1.66 0.0010 CONT 1<br> 1 0.30 0.0000 CONT 1<br> 1 -0.66 0.0010 CONT 1<br> 0.30 5 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW)<br> 1 0.30 0.0000 CONT 1<br> 1 -6.09 0.0001 STOP 1<br> 2 0.30 0.0000 CONT 1<br> 2 -1.55 0.0010 CONT 1<br> 0 0.30 0.0000 CONT 1<br> 0.30 5 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW/LAPW)<br> 2 0.30 0.0000 CONT 1<br> 2 -3.33 0.0001 STOP 1<br> 0 0.30 0.0000 CONT 1<br> 0 -1.00 0.0010 CONT 1<br> 1 0.30 0.0000 CONT 1<br>K-VECTORS FROM UNIT:4 -12.2 1.5 162 red emin/emax/nband<br><br><div><br></div><div><br></div><div>Please let me know what additional information I can provide.</div><div><br></div><div><br></div><div>Thanks and regards</div><div><br></div><div>Chin S.<br></div></div><div><br></div><br><br></div></div></body></html>