[Pw_forum] xml data file not found

2017-11-19 Thread Punit Kumar
Hello QE users I have recently started working on quantum espresso. I have installed QE 6.2 and after installation I have tried to do structure optimization of bukl Ni crystal and I have got the following error Program PWSCF v.6.2 (svn rev. 13949:13950) starts on 16Nov2017 at 16:20:50 This

Re: [Pw_forum] xml data file not found

2017-11-20 Thread Pietro Delugas
Hello Punit In you are input, in the control section,  you are setting restart_mode variable to "restart", which assumes that you had run a first calculation and this new one should  restart upon the previous results.  For this reason the program tries to read the the older calculation data f