dear QE experts,
i am doing CPMD to see the structural deformation at certain
temperature range (example water molecule - hydrogen desorption at 100
degree C) . please mention the input tags for temperature and temperature
intervels to apply whole system. how to interpret the output files ?
thanks in advance.
--
*Best regards,*
*Rajkamal.A.*
*Research Scholar,(SRM UNIV).*
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