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

2018-09-16 Thread 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/


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

2018-09-16 Thread Mirwaiz Rahaman
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*
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