[Pw_forum] question about pseudopotential generation by ld1.x
baroni at sissa.it
Mon Aug 23 11:03:08 CEST 2010
On Aug 23, 2010, at 10:25 AM, Lorenzo Paulatto wrote:
> On Fri, 20 Aug 2010 04:29:19 +0200, jia chen <jiachen at princeton.edu> wrote:
>> Secondly, after plotting logarithmic derivatives, I found some
>> 'sparks', both in atomic and pseudo wave functions. I would like to
>> know if this is a sign of trouble?
> Please define a spark, or attach a picture.
most likely, he was meaning "spikes" - just a guess ...
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste
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