[vasp-forum] How to set ISTART

  • From: Weiguang Chen <chenweiguang82@xxxxxxxxx>
  • To: vasp-forum@xxxxxxxxxxxxx
  • Date: Sat, 7 Mar 2009 08:33:26 +0800

Hi,
If I want to calculate band structure by reading WAVECAR. According
the vasp manual, when ISTART=1, the set of plane waves will may be
redefined and re-padded.
I think the K-mesh has been changed when we calculate band structure,
which may affect the WAVECAR, and it may not a non-selfconstient
calculation.
So i think ISTART should be set 2, the set of plane waves will keep constant.
What do you think about it?

-- 
Best Wishes
ChenWeiguang

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#               Chen, Weiguang
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  • » [vasp-forum] How to set ISTART - Weiguang Chen