Dear Experts, I did scf and other calculation by using USPP, but in epsilon calculation (optical properties) I have no option but have to use only norm conserving PP, Is this correct? Will it make any difference? Shall I compare the calculated properties and parameters by using these different pseudopotentials? For example, If I have calculated electronic properties by USPP and optical properties by norm conserving PP, can I do interpretation of these properties for the same compound?
With warm regards Sudha Priyanka G Assistant Professor, Lady Doak College, Madurai, Tamilnadu, India.
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