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Re: [abinit-forum] GW calculation aborted "SCREENING: Calculation..." without any error message


Chronological Thread 
  • From: Quan Phung Manh <manhquank9@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] GW calculation aborted "SCREENING: Calculation..." without any error message
  • Date: Thu, 4 Jun 2009 17:14:19 +0700
  • Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:in-reply-to:references:from:date:message-id:subject:to :content-type; b=uTW3xhl7wm7ok56LZrFC4+UkVktVJcUl0/Qz07UZ43beDGLCDPv8vwr0Rcnd/0i7Hj AlTSH0UJUldzY1aqox85Tzzt2kmbqCfrA7XtpPUCuy3t8Gj3KAuhMfjFxdG0clVE3Ysg VXqfGdqYKL3bl39QivXK9rFk5e7f6P5tiyySU=

What pseudopotential files are you using? I calculated GW for TiO2 with Teter extended norm-conserving last year and had the same error. Have you tried other pseudopotential files?



--
Quan Phung Manh
Khoa Hoá học - ĐH Khoa học tự nhiên - 19 Lê Thánh Tông Hà Nội




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