Hello Gulshan, In your input file, you mentioned calculation is md so probably you are using pw.x code, where nose thermostat not present. And if you want to use nose thermostat dynamics on ions you should use cp.x code with calculation='cp' not md. Best wishes
Regards Jayraj Anadani PhD research scholar Sardar Patel University On Sun, 24 Dec, 2023, 6:00 pm Gulshan Kumar, <[email protected]> wrote: > > > Dear sir, > > I am having trouble regarding this > 1. When I do temperature calculations, it ignores the cell > parameters segment because I want to check how the atomic positions and > cell parameters will be after increasing the temperature. > 2. When I do ion_temperature = 'nose', it does not recognize the nose > temperature. > I appreciate your support. > Thank you > > -- > Gulshan Kumar > Ph.D. -EH > IIT Gandhinagar > +91 8218855757 > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
