[QE-users] controtting T in cp.x

2022-01-02 Thread Mahmoud Payami Shabestari via users
Dear Experts, Hi and Happy New Year. I am experiencing that using Nose thermostat in cp.x is somehow fails to control T and I have a large deviations from the target T even using fnosep in the midway of natural ionic frequencies. On the other hand, "rescaling" is quite successful. Which poi

Re: [QE-users] controtting T in cp.x

2022-01-02 Thread Mahmoud Payami Shabestari via users
Sorry! The subject is Controlling. From: Mahmoud Payami Shabestari via users To: "users@lists.quantum-espresso.org" Date: Sun, 02 Jan 2022 16:56:00 +0330 Subject: [QE-users] controtting T in cp.x Dear Experts, Hi and Happy New Year. I am experiencing that using Nose thermost