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I am using QMD to calculate average pressure at specific density and temperature. But results are always short of SESAME and reported results (PRE 66,056412 ). do I have to add any extra contribution or correction to pressure.
where I can find Free electron's contribution to the pressure ?
Can I calculate no. of ionized electrons ?

Hello,

I have the same question, my MD simulations give lower pressure then it is in articles. If you have found the answer, please share it with me.