Dear all:
It is written at the title of paw potential:
PAW_PBE Mn_pv 07Sep2000
13.0000000000000000
parameters from PSCTR are:
VRHFIN =Mn: 3p4s3d
I want to know, the valence-electron configurations is 3p^6 4s^2 3d^5, or 3p^6 4s^1 3d^6？
Thanks in advance:)
<span class='smallblacktext'>[ Edited ]</span>
valence-electron configurations of Mn
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nkxirainbow
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valence-electron configurations of Mn
Last edited by nkxirainbow on Mon Jun 06, 2011 10:40 am, edited 1 time in total.
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support_vasp
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Re: valence-electron configurations of Mn
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