Zinc oxide is an inorganic compound with the formula ZnO. ZnO is a white powder that is insoluble in water. Hexagonal structure ( wurtzite ) is used for calculation.
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@activ10265 жыл бұрын
zno has hexagonal wurtzit crystal structure i am searching for zno cif file.
@smahanedahbi33044 жыл бұрын
If when u run scf ans the get an error i had the same problem if u revol it please tell the solution
@malkiyahia82395 жыл бұрын
Hi, can you deal an example of a supercell ( ternary alloy with fractions/concentrations)? Thank you
@easyedu15 жыл бұрын
Generate the crystalline structure of your alloy, or generate a supercell and then replace some the atoms according to your need and run the parograme for results.
@yassinelfattal923 жыл бұрын
hello I want to dopeZnO with iron in wien2k how I can please