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- From: shinekin <shinekin@hotmail.com>
- To: "forum@abinit.org" <forum@abinit.org>
- Subject: the different highest angular momentum between pdos calculation and .psp file
- Date: Sat, 21 Jul 2007 16:31:50 +0800
- Importance: Normal
Dear abinit users,
After i run the pdos calculation, i got 5 differents angular momentum datas,from l=0 to 4. but from the .psp file of the element i
calculated ,i know that the lmax=3, Does it means that the datas i needed are just s,p,d,f ? Why the g angular momentum were
generated by the abinit since there is no defination about l=4 in the .psp file?
Thanks in advance!
Regards
Shinekin
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- the different highest angular momentum between pdos calculation and .psp file, shinekin, 07/21/2007
- Re: [abinit-forum] the different highest angular momentum between pdos calculation and .psp file, Xavier Gonze, 07/21/2007
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