i have calculated electronic properties of CdS zinc blend phase. now i want to calculate CdS in wurtzite phase, please say how put angle positions and lattice constant in fdf file
Hi,
There are many ways. Please follow the link below.
https://departments.icmab.es/leem/siesta/CodeAccess/Code/siesta-3.2.pdf
Hope this may help,
Best
Arka
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