Re: [QE-users] 回复: 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ?

2022-04-09 Thread Hsin-Yu Ko
iangli.com/ 发件人: users-boun...@lists.quantum-espresso.org 代表 Hsin-Yu Ko 发送时间: 2022年4月9日 1:10 收件人: 'Quantum ESPRESSO users Forum' ; users-requ...@lists.quantum-espresso.org 主题: Re: [QE-users] 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ? Dear Kejian

[QE-users] 回复: 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD with cp.x ?

2022-04-08 Thread likejiang
, 2022 12:04 PM To: 'Quantum ESPRESSO users Forum' mailto:users@lists.quantum-espresso.org> >; users-requ...@lists.quantum-espresso.org mailto:users-requ...@lists.quantum-espresso.org> > Subject: [QE-users] 回复: Is it necessary to do "vc-relax" with pw.x before doing CPMD wit