[Pw_forum] Single point energy calculation within PWSCF.

[Hongsheng Zhao]

Hi all,

I've learned that the single point energy calculation should be the
most appropriate method for any type of convergence testings (whether
that be k-point, cutoff, fine grid or cell size).  I want to know if 
there are keywords/flags within PWSCF for single point energy calculation?

Regards.
-- 
Hongsheng Zhao <zhaohscas at yahoo.com.cn>
School of Physics and Electrical Information Science,
Ningxia University, Yinchuan 750021, China