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- From: hongki@physics.utexas.edu
- To: forum@abinit.org
- Subject: Spin-Orbit in 27Co using pspso 2/part 2
- Date: Fri, 30 May 2003 09:47:51 -0500
(message was truncated..)
Any help or comment would be greatly appreciated.
Thank you and have a good day.
Hongki Min
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*code (normal part)... nspinor 2 pspso 2 intxc 1 ixc 2 occopt 7...
*Result (Hartree)
kpt# 1, nband= 20, wtk= 1.00000, kpt= 0.0000 0.0000 0.0000 (reduced
coord)
-0.25059 -0.25059 -0.15391 -0.15391 -0.15391 -0.15391 -0.15108
-0.15108
-0.15028 -0.15028 -0.15028 -0.15028 -0.04471 -0.04471 -0.04124
-0.04124
-0.04124 -0.04124 -0.01043 -0.01043
(I rearranged the above data set and picked up 3d part)
4s -0.25059 -0.25059
3d -0.15391 -0.15391 -0.15391 -0.15391
-0.15108 -0.15108 -0.15028 -0.15028 -0.15028 -0.15028
4p -0.04471 -0.04471
-0.04124 -0.04124 -0.04124 -0.04124
5s -0.01043 -0.01043
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Sorry for the separate message.
- Spin-Orbit in 27Co using pspso 2/part 2, hongki, 05/30/2003
- Re: [abinit-forum] Spin-Orbit in 27Co using pspso 2/part 2, verstraete, 05/30/2003
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