Shihn Lun wrote: >Hello all, > >I want to do phonon calculations on bcc Te, but I >still could not obtain the phonon frequencies which is >similar >to other calculations (PRL.v77.p1151). > >When I change the pseudopotential from 'Te.pz-bhs.UPF' >to FHI pseudopotential, the answer was not improved. > >And I adjusted the parameters in input files for many >days, I still didn't konw what's wrong in my input or >other setup. > >Anyone could give me some suggestions ? > >Thanks in advance, > >Shihn Lun. > > How many k-points are you using ? In the PRL paper 112 monkhorst-pack points are used in the bcc cell. I include them if you want to try.
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