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[abinit-forum] {Spam?} Why uspp Hf has the p state weights in pdos analysis?


Chronological Thread 
  • From: Hongsheng Zhao <zhaohscas@yahoo.com.cn>
  • To: "forum@abinit.org" <forum@abinit.org>
  • Cc: PWSCF Forum <pw_forum@pwscf.org>
  • Subject: [abinit-forum] {Spam?} Why uspp Hf has the p state weights in pdos analysis?
  • Date: Tue, 26 Aug 2008 19:17:02 +0800
  • Organization: Chinese Academy of Sciences
  • Resent-date: Tue, 26 Aug 2008 13:21:51 +0200 (CEST)
  • Resent-from: Hongsheng Zhao <zhaohscas@yahoo.com.cn>
  • Resent-message-id: <20080826112151.22494EC6EA@smtp2.sgsi.ucl.ac.be>

Dear users,

I use the Hf 5d2 6s2 in the uspp scheme for my research, in the pdos analysis
of my results, I can also find the Hf's p state weights in pdos analysis.
Why does this happen?

Sincerely yours,

PS The attachment is the snapshot of the p state of Hf.
--
Hongsheng Zhao <zhaohscas@yahoo.com.cn>
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences
GnuPG DSA: 0xD108493
2008-8-26

Attachment: hf_p_state.png
Description: PNG image



  • [abinit-forum] {Spam?} Why uspp Hf has the p state weights in pdos analysis?, Hongsheng Zhao, 08/26/2008

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