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Re: atom projected DOS at spin polarized


Chronological Thread 
  • From: mikey_lee <mikey_lee@263.sina.com>
  • To: forum@abinit.org
  • Subject: Re: atom projected DOS at spin polarized
  • Date: Fri, 19 Dec 2003 14:03:25 +0800

There is new error after modification according to Fabien's advice when
prtdos=2.

It can be found that when prtdos=2, unitdos_arr is not allocated, so
deallocate (unitdos_arr) on line 401 can not move outside the loop on ispool
directly. It must be put on line 410 like this:

if(prtdos==3)then
deallocate (unitdos_arr)
endif

That's all right.

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