obtaining hamiltonian matrix

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edurgun
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obtaining hamiltonian matrix

#1 Post by edurgun » Sun Oct 23, 2005 9:46 pm

is it possible to obtain matrix elements of hamiltonian which VASP constructs and try to solve? thank you for your help...
Last edited by edurgun on Sun Oct 23, 2005 9:46 pm, edited 1 time in total.
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admin
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obtaining hamiltonian matrix

#2 Post by admin » Thu Nov 24, 2005 1:37 pm

no
Last edited by admin on Thu Nov 24, 2005 1:37 pm, edited 1 time in total.
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JSH
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obtaining hamiltonian matrix

#3 Post by JSH » Thu Jan 20, 2011 4:31 pm

Is the answer still ‘no’ in the current version of VASP (5.2.11)? Thanks.
Last edited by JSH on Thu Jan 20, 2011 4:31 pm, edited 1 time in total.
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admin
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obtaining hamiltonian matrix

#4 Post by admin » Mon Jan 31, 2011 3:06 pm

yes
[ Edited Mon Jan 31 2011, 04:07PM ]
Last edited by admin on Mon Jan 31, 2011 3:06 pm, edited 1 time in total.
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