Hi I want to know that how to calculate the phase transition pressure in Quantum esspresso code for WN compound

Madhu Sarwan @Madhu-Sarwan

28 June 2017 1 10K Report

proceddure to calculate transiton pressure from B3 to B1 phase in WN using quantum esspresso code.

Madhu Sarwan

Thanks

But I want to know how to calculate Enthalpy with pressure in Quantum esspresso code.

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