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,

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* ___ users mailing list users@lists.quantum-espresso.org