hi,
I am plotting DOS for three different specie types in my supercell. The DOS was generated without RWIGS since I am using PAW potentials. By looking at the obtained DOS, the sum of all the DOS for the three species (all atoms) does not add up to the total DOS. While I understand that this is because of RWIGS, which define the integration region for each atom type and perhaps were too small in my calculation to yield the total number of electrons equal to what it should be, is it ok to publish my DOS results like this or should I play with the RWIGS?
Thanks.
DOS and RWIGS
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apple
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DOS and RWIGS
Last edited by apple on Wed Aug 01, 2012 9:02 pm, edited 1 time in total.
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support_vasp
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Re: DOS and RWIGS
Hi,
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