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Re: [abinit-forum] 'leave_new : decision taken to exit ...'--what's wrong in my GW input file?


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  • From: ธนูสิทธิ์ บุรินทร์ประโคน <thanusit@kku.ac.th>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] 'leave_new : decision taken to exit ...'--what's wrong in my GW input file?
  • Date: Thu, 1 Nov 2007 00:31:43 +0700 (ICT)

Dear Xiaohong

Sorry I though you were working on Si.

What are the pseudopotential files you used? The crash may be caused by
the incompatability between the pseudopotential files and KSS
generation routine. With 01h.pspgth for H and 14Si.pspgth for Si, I got
the same problem. But when I used the 14-Si.LDA.fhi for Si, and
01-H.LDA.fhi for H, the run using your input file with nbandkss1 = 50
seemed to go further than the current crashing point.


Kind Regards,
Thanusit Burinprakhon




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