<div dir="rtl"><div style="text-align:left" dir="ltr">Hi, </div><div style="text-align:left" dir="ltr">When run scf within TB-mBJ, I often encounter the following problem in almost cycle 25 :</div><div style="text-align:left">in cycle 27    ETEST: .3350395700000000   CTEST: .3759918</div><div style="text-align:left">hup: Command not found.</div><div style="text-align:left"> LAPW0 END</div><div style="text-align:left"> LAPW0 END</div><div style="text-align:left">SELECT - Error</div><div style="text-align:left">SELECT - Error</div><div style="text-align:left">SELECT - Error</div><div style="text-align:left">SELECT - Error</div><div style="text-align:left"><br></div><div style="text-align:left">>   stop error </div><div style="text-align:left">**  Error in Parallel LAPW1</div><div style="text-align:left">**  LAPW1 STOPPED at Thu 29 Jul 2021 01:34:47 AM CET</div><div style="text-align:left">**  check ERROR FILES!</div><div style="text-align:left"> 'SELECT' - no energy limits found for atom   3  L= 1                          </div><div style="text-align:left"> 'SELECT' - E-bottom -200.00000   E-top -200.00000                            </div><div style="text-align:left"> 'SELECT' - no energy limits found for atom   3  L= 1                          </div><div style="text-align:left"> 'SELECT' - E-bottom -200.00000   E-top -200.00000                            </div><div style="text-align:left"> 'SELECT' - no energy limits found for atom   3  L= 1                          </div><div style="text-align:left"> 'SELECT' - E-bottom -200.00000   E-top -200.00000                            </div><div style="text-align:left"> 'SELECT' - no energy limits found for atom   3  L= 1                          </div><div style="text-align:left"> 'SELECT' - E-bottom -200.00000   E-top -200.00000 </div></div>