Dear Prof. Blaha,<br><br> I have checked case.scf1 and case.output1 and observed that no eigen values printed in case.scf1 after LAPW1 END and WARPING = NaN instead of a finite value in case.output1, which leads to fail the job without performing LAPW2 step in the first iteration. How to rectify this problem ? <br>
<br>I didn't face this problem very few cases but most of the cases (about 15 compounds) I come across this problem. <br><br>In the previous mail the matrix size is same in two versions of the WIEN2k, its a typo error when I copied from the terminal (sorry for the typo error). <br>
<br>Thanking you sir, <br><br><br> Regards<br>Yedukondalu<br><br><br>