Dear all, Now I am calculating the electronic structure of Formamidinium Lead Iodide. In scf calculation, I already have changed the value of 'verbosity' to 'high' in order to print out all eigenvalues. From the interactive plotband.x bin command, I apply the value of the shown Emin and Emax onto the pdos input file below:
&PROJWFC outdir='/home/efidwiindari/Downloads/espresso-5.2.0/tempdir/FAPI/', prefix='FAPIas', ngauss=0, Emin=-18.0 Emax=3.0 deltaE=0.1 filpdos='FAPIas.pdos' / >From the calculation, I expected to get pdos of 6p from Pb and 5p of I. Yet, unfortunately I only reach up to Pb 3d and I 2p. Does any one know how to fix it? Any help would be really appreciated. Thank you for your time. Looking forward to hearing from you. Best Regards, Efi Research Assistant at Bandung Institute of Technology, Indonesia
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