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How to perform an el-ph transport calculation with abinit-5.3.4


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  • From: "张�s" <zhangting1980323@gmail.com>
  • To: forum@abinit.org
  • Subject: How to perform an el-ph transport calculation with abinit-5.3.4
  • Date: Thu, 16 Aug 2007 15:42:48 +0800
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Dear abinit users:

      I've noticed that abinit-5.3.4 can calculate transport properties due to el-ph interaciton, with ifltransport=1 in anaddb input file. But when I set the flag ifltransport=1, the anaddb code give out such error messages:
==================================================================
      get_all_gkq : out of read_gkk

 get_all_gkq : calling complete_gkk to complete
 gkk matrices for other qpoints on the full grid

 get_all_gkq : out of complete_gkk
 SIZES         9216
 reading of electronic velocities
 enter read_el_veloc
 Please, give the name of the data file for transport properties...
forrtl: severe (24): end-of-file during read, unit 5, file stdin
Image              PC                Routine            Line        Source

anaddb             0000000000598E7A  Unknown               Unknown  Unknown
anaddb             00000000005971DE  Unknown               Unknown  Unknown
anaddb             000000000057A228  Unknown               Unknown  Unknown
anaddb             0000000000543479  Unknown               Unknown  Unknown
anaddb             00000000005439FF  Unknown               Unknown  Unknown
anaddb             000000000055D6EA  Unknown               Unknown  Unknown
================================================================

      It seems that the error is because the lack of some files describing transport properties. But I can't find any sample or explanation of this file in both tutorials and test input files. Has anyone successfully performed such an el-ph induced transport calculation? and can you show me an example of the mentioned
"data file for transport properties" and where to put its name in the files file? Thanks!
      My input files are attached, which are modified from telphon_4.files and telphon_4.in in tutorial, just adding the keyword "
ifltransport=1", and will give error messages.


                                                                                              Zhang Ting
                                                                                              Dep. of Electronics
                                                                                              Pdking Univ.
                                                                                              Aug 16th, 2007

Attachment: telphon_4.in
Description: Binary data

Attachment: telphon_4.files
Description: Binary data




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