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Re: [abinit-forum] Is it a bug ?


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  • From: Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Is it a bug ?
  • Date: Wed, 6 Jun 2007 09:51:24 +0900

Dear new ABINITioners,

As I suggested before, would you kindly take time to read
the nice article "How To Ask Questions The Smart Way"
http://www.catb.org/~esr/faqs/smart-questions.html
(http://www.lat30n.cn/doc/oss/smart-questions.html for Chinese)
by Eric Steven Raymond, as well as our Netiquette.
http://www.abinit.org/community/?text=netiquette

In particular,
"When you ask -- Don't claim that you have found a bug"
http://www.catb.org/~esr/faqs/smart-questions.html#id270918
for Chinese people:
http://www.lat30n.cn/doc/oss/smart-questions.html#id264997
if you have little time to read it through now...

Happy computing,
Masayoshi

P.S. I can recognize some Chinese characters in
http://www.lat30n.cn/doc/oss/smart-questions.html.
"bug" (in Computer field) is "stinky insect" in Chinese, indeed... ;-)

On 2007/06/05, at 22:02, tianmiao8287@163.com wrote:


Hi,when I calculate a material belongs to Space group 36,I encounter many problems.
The lattice contants b=sqrt(3),that is a/=b.
So in the 81 line of abinit-5.X/src/17lwf/shellin.F90,there is "rprimd(ii,jj)=rprim(ii,jj)*acell(jj)"
,I think it should be "rprimd(ii,jj)=rprim(ii,jj)*acell(ii)".
In the 61 line of abinit-5.X/src/12geometry/mkrdim.F90,I think it also should be "rprimd(ii,jj)=rprim(ii,jj)*acell(ii)"
instead of "rprimd(ii,jj)=rprim(ii,jj)*acell(jj)".
Thanks a lot for your time!I hope your reply !

tian





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