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Questions related from Diego Benalcázar Ruiz
Hello. We are making G0W0 calculation and we want to plot the band structure using wannier90. However, we cannot currently install in our computer. Is there any way of obtaining the .win., .amn,...
11 June 2017 3,865 14 View
Hello We are trying to make some calculations with G0W0 on VASP 5.3. We sent the following INCAR using LDA: ALGO = GW0EDIFF = 0.00000001#ENCUT = 520ISTART = 1IBRION = -1ICHARG = 2 ISIF = 2ISMEAR...
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Which are the considerations needed, especially regarding symmetry, when I simulate a supercell formed by two different types of unit cells? For example, what would happen if it is formed by four...
24 April 2017 7,486 5 View
