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转发: the calculation of band_gap in the GW approximation including spin_orbit couplin g?=


Chronological Thread 
  • From: you peng <pengyoucool@yahoo.com.cn>
  • To: abinit <forum@abinit.org>
  • Subject: 转发: the calculation of band_gap in the GW approximation including spin_orbit couplin g?=
  • Date: Thu, 8 Mar 2007 16:45:31 +0800 (CST)
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--- Begin Message ---
  • From: you peng <pengyoucool@yahoo.com.cn>
  • To: abinit <forum@abinit.org>
  • Subject: 转发: the calculation of band_gap in the GW approximation including spin_orbit couplin g?=
  • Date: Thu, 8 Mar 2007 14:51:26 +0800 (CST)


注:已附加转发邮件。


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--- Begin Message ---
  • From: you peng <pengyoucool@yahoo.com.cn>
  • To: forum@abinit.org
  • Subject: the calculation of band_gap in the GW approximation including spin_orbit coupling
  • Date: Thu, 8 Mar 2007 11:00:50 +0800 (CST)
Dear users:
        I am a new user in abinit. Now I am eager to learn the band_gap calculation in the GW approximation. The system I pay attention to need to include the spin_orbit coupling. So I want to know how I should edit the input file in the foundation of the usual input file. Besides,whether the pseudopotential file should be modified according to the new code of the SO,or not .  If the pseudopotential file shoule be edited,how do that.
       I will look forward to your reply.Thank you very much for your attention.
                                                                                                  
                                                                                                        Friend


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  • 转发: the calculation of band_gap in the GW approximation including spin_orbit couplin g?=, you peng, 03/08/2007

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