The ABINIT Users Mailing List ( CLOSED )

["Zhenyu Li" <zyli@sina.com>]

Dear ABINIT users

        Has anybody here done some benchmark test on the efficiency on the 
paw potential?
I have created a paw potential for carbon using atompaw (rc=1.3)and 
atompaw2abinit.
My test job on diamond turns out that both PAW and TM NC potential need 
almost same 
ecuts (about 30.0), and the job using paw potential spend much more time than 
the 
one using TM potential (31.6 sec vs 16.0 sec). Is this mean that I can not 
expect 
to improve the efficiency much by using paw potential?

        By the way, is there a method to reduce the space usage of the WFK 
and 1WF files?
I often found my quota is too small. :-(

        Thanks!

Best Wishes
Zhenyu Li

=================================================
   Zhenyu LI
   Ph.D. Candidate
   Open Laboratory of Bond Selective Chemistry,
   University of Science and Technology of China,
   Hefei, Anhui, 230026,
   People's Republic of China
   Tel.: 86-551-3606428
   Fax.: 86-551-3602969
   http://www.bsc.ustc.edu.cn/~zyli/whoami/
===================================================