Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] {SPAM?} Problem when calculating on LiNiO2

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] {SPAM?} Problem when calculating on LiNiO2


Chronological Thread 
  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] {SPAM?} Problem when calculating on LiNiO2
  • Date: Thu, 29 Dec 2005 14:27:58 +0100

Dear Hongbin Zhang,

Please, could you send your full input file, and the error message from the output file ?

Xavier

On 25 Dec 2005, at 10:58, 张 洪彬 wrote:

Dear all:
May you have a merry Christmas first.
Now I am doing some calculation on LiNiO2, but there are some problems with my input file:
ntypat 3
znucl 3 8 28
natom 12
typat 1 3 2 2 1 3 2 2 1 3 2 2
xred
< I give 12 reduced coordinates of atoms here>
However, the abinis stoped and said that there should be 36 arrays provided. Please help me.
Best regards.
Hongbin Zhang

_________________________________________________________________
免费下载 MSN Explorer: http://explorer.msn.com/lccn/






Archive powered by MHonArc 2.6.16.

Top of Page