[QE-users] Error in nscf calculation (Pietro Delugas)

[Pietro Delugas]

Hello

checked my sent folder, the message is there. I  rewrite it in any case

your input file has

startingpot='atom'.

This  is usually wrong.  An  nscf calculation need to read   the charge 
density from a previous calculation.

In nscf case thus  startingpot may be left unspecified or, specifying 
it  needs to be

startingpot='file'.

hope this time you can read the message

regards - Pietro



On 16/09/2018 15:59, Mirwaiz Rahaman wrote:
> Hi,
> There is no message in your reply. Please have a look.
> Thanks
>
> -- 
> /Mirwaiz Rahaman/
> /Semiconductor Lab/
> /Materials Science Centre/
> /IIT Kharagpur/
> /W.B. 721302/
> /mob:- 9038537914/
>
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180916/d395c628/attachment.html>