[Pw_forum] Reading "rho" file

Sergey Lisenkov proffess at yandex.ru
Wed Apr 5 15:25:25 CEST 2006


Dear Paolo,

  I found, that this problem does not appear when I change ecutwfc  and use startingpot='file'. But this problem appears if I change ecutrho  and use startingpot='file'. 

Sergey

>
>>quite possible, but why do you want to restart from the potential on file?
>>If you perform a dynamics run, extrapolation of the potential from preceding 
>>steps should be done automatically.
>
>  I wanted, but if I am not mistaken, there are two cases:
>
>1) restart_mode='restart' , which will read .save file
>
>2) startingpot='file', which should read rho/pot file. 
>
>I tried both of them, but the code always try to read "rho" file, which was unsuccesfull. So, only the case is the start from the scratch...
>
> Sergey
>  






More information about the users mailing list