<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear and Respected Wien2k users</div><div>During first cycle of optimization the fallowing error appears <br></div><div><br></div><div>Error in LAPW1<br> 'NN' - overlapping spheres<br> 'NN' - RMT( 1)=2.20000 AND RMT( 3)=1.20000 <br> 'NN' - SUMS TO 3.40000 GT NNN-DIST= 3.33304 </div><div><br></div><div><br></div><div>It is worthy to note that same structure file is running succescfully for GGA/LDA . I tried to adjust the RMT values but still the same error appears. I have used RMT values of 2.2, 1.6 and 1.2 for the first ,second and third atom respectively . Kindly guide me to overcome this
problem</div><div><br></div><div>Thank you all</div></div></body></html>