The ABINIT Users Mailing List ( CLOSED )

["Xu ZhiPing" <xzp02@mails.tsinghua.edu.cn>]

Dear Abiniters:
        I am doing calculation on carbon nanotube using ABINIT 4.2.3, first I 
am doing k-points convergence test, I'd like to using these datasets:

ngkpt1  3  3  6
ngkpt2  4  4  6
ngkpt3  4  4  7
ngkpt4  5  5  7

        The first one runs sucessfully, but the following sets result in a 
segment fault, the output are post below:
-----------------------------------------------
 contract_int_list: BUG -
  For the routine sqnorm_g,
  the value of "istwf_k" should belong to the list :   1   2   3   4   5   6  
 7   8   9.
  However, istwf_k =      1.
                   ~~~~~~~~~~~~~~????
  Action : contact ABINIT group.

 Delivered    5 WARNINGs and   1 COMMENTs to log file.

 leave_new : decision taken to exit ... 
-----------------------------------------------
        Does anyone can help me to understand this error and solve it? the 
files are attached.


Best Regards.

ZP

-----------------------------------------------
Xu ZhiPing
Ph.D Candidate
Room: 3405, Phone: 86-10-627-83814
Department of Mechanics,
Qinghua University, Beijing, CHINA
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