[Pw_forum] Single point energy calculation within PWSCF.

Hongsheng Zhao zhaohscas at yahoo.com.cn
Wed May 25 18:49:18 CEST 2011

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?

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

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