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- 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.
===================================================================
- atom projected DOS at spin polarized, mikey_lee, 12/11/2003
- Re: [abinit-forum] atom projected DOS at spin polarized, hocine megchiche, 12/11/2003
- Re: [abinit-forum] atom projected DOS at spin polarized, hocine megchiche, 12/11/2003
- <Possible follow-up(s)>
- RE: atom projected DOS at spin polarized, mikey_lee, 12/11/2003
- Re: [abinit-forum] RE: atom projected DOS at spin polarized, Fabien Bruneval, 12/11/2003
- Re: [abinit-forum] RE: atom projected DOS at spin polarized, verstraete, 12/11/2003
- Re: [abinit-forum] RE: atom projected DOS at spin polarized, Fabien Bruneval, 12/11/2003
- Re: [abinit-forum] RE: atom projected DOS at spin polarized, verstraete, 12/11/2003
- Re: [abinit-forum] RE: atom projected DOS at spin polarized, Fabien Bruneval, 12/11/2003
- RE: atom projected DOS at spin polarized, mikey_lee, 12/12/2003
- Re: atom projected DOS at spin polarized, mikey_lee, 12/19/2003
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