Hello Quantum espresso users, I am sorry to bother you this time around, and I hope you will help me out. I have been using QE for quite some time, and I know the procedures of using the pw.x along with bands.x as well as plotbands.x to obtain the band structures of any system when the temperature is at 0K. However, I am having a challenge on how to increase the temperature from maybe 0K to 100 K or more using pw.x or any other executions files. Although, I am aware that cp.x can be of help, as a result, I have tried cp.x to calculate the following:
electronic minimization, electronic damped dynamics, geometry optimization by damped dynamic, electronic + ionic dynamic and electronic + ionic dynamic + NOSE thermostat on ions. But my serious problem is how to link the results I have with the following runs with my band structure calculations in order to vary the temperature. I am ready to provide more classifications in case if my questions is not clear. Many thanks for your usual support. Best regards, Rasaki Adeniji,Department of Physics, FUNAAB, Abeokuta,Nigeria.
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