[Pw_forum] Consider the relativistic effect for heavy element within pwscf.
zhaohscas at yahoo.com.cn
Sat Dec 27 17:30:33 CET 2008
Currently I'm doing some research on the element Hf, a pretty heavy element. If I want to take the relativistic effect into
account in my calculation. Is this possible within pwscf? If so, what parameters should I use for the input files? Any hints will be highly appreciated. Thanks in advance.
Hongsheng Zhao <zhaohscas at yahoo.com.cn>
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences
GnuPG DSA: 0xD108493
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