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PDOS Properties "grayed out"
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Topic: PDOS Properties "grayed out" (Read 3457 times)
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markmick
Heavy QuantumATK user
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PDOS Properties "grayed out"
«
on:
May 8, 2016, 18:49 »
When I successfully open DOSCAR and display the PDOS image, the s,p,d, f shells are grayed out. Is there an additional setting in VASP that I need to set? I thought that LVTOT=True was all that was needed.
Mark
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Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: PDOS Properties "grayed out"
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Reply #1 on:
May 8, 2016, 19:42 »
In the INCAR file, you should also set LORBIT, for example, to 12, see
http://cms.mpi.univie.ac.at/vasp/vasp/LORBIT.html
for all the options.
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PDOS Properties "grayed out"