<!DOCTYPE html><html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8" /></head><body>Hello,<div><br></div><div>Sometimes ago I had a problem something like this...I unphysically played with the numbers in input file to find source of problem but nothing happened to make me happy...I decided to observe the RAM status in graphic...the cache RAM size was linearly(or dramatically) increasing while number of nkpt was increasing...disk_io='low' is the default value that is to make faster read/write speed...it means RAM is big brother...I changed input/output status low to high (disk_io='high' in the "&CONTROL / "section of input), then pw.x_nscf has been finished succesfully for desired numbers of nkpt. In my case it works...I am not sure that can it solve or exactly related with your problem?!...please just try.</div><div><br></div><div>Hope That Helps,</div><div><br></div><div> Mutlu.</div><div><br></div><div><span style="font-family: monospace;">> Dear</span><br style="font-family: monospace;"><span style="font-family: monospace;">> I want to calculate optic properties of ZnO bulk using quantum</span><br style="font-family: monospace;"><span style="font-family: monospace;">> espresso .The papers reported to need many k-points (50* 50 *31) for</span><br style="font-family: monospace;"><span style="font-family: monospace;">> calculation optic properties of ZnO bulk .I calculate nscf using 27*</span><br style="font-family: monospace;"><span style="font-family: monospace;">> 27*18 k_point and calculate epsilon.x. But chart is not corresponding</span><br style="font-family: monospace;"><span style="font-family: monospace;">> of other papers ( using other cods) .</span><br style="font-family: monospace;"><span style="font-family: monospace;">> I use 36*36*27 kpoint , but nscf stops on Computing kpt #: 19459</span><br style="font-family: monospace;"><span style="font-family: monospace;">> Pleas guide me</span><br style="font-family: monospace;"><span style="font-family: monospace;">> Thank you</span><br style="font-family: monospace;"><span style="font-family: monospace;">></span><br><br><div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">------------------------------------------</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Dr. Mutlu ÇOLAKOĞULLARI</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Trakya Universitesi </div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Fen Fakultesi</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Fizik Bolumu</div></div></div></body></html>