Dear Dr.Mehra > I have calculated pressure derivative and bulk modulus.. Could > anyone suggest me how to calculate phase transistion pressure > through Siesta?Is there any program in which I have to keep the > values or any sort of method is through siesta? > Is phase transistion is to be calculated manually?
You can try to read the following paper about the phase transition of silicon calculated with Siesta http://dx.doi.org/10.1088/0953-8984/20/32/325232 -- Sincerely yours, Pavel B Sorokin mailto:[EMAIL PROTECTED]
