[Re:01] Large bzqlty problem

Posted on : February 26, 2017 (Sun) 19:27:32

by Hitoshi GOMI

Hello STEIN,

As far as I konw, one can reduce the k-points in a large calculation cell, so that I have never tried a calculation with large bzqlty and large natm.

Because the maximum number of nk1x is depending on the size of memory on your computer, I guess to increase the RAM is one possible solution.
Also, followings are some tips to reduce the memory usage.
* Use brvtyp instead of aux.
* Use l=2. ttp://kkr.issp.u-tokyo.ac.jp/bbs/thread.php?id=82

Hitoshi