The ABINIT Users Mailing List ( CLOSED )

[m-takahashi@hq.jp.nec.com]

To ABINIT user

I would like to ask a question about visulaization of 
 electronic densty with cut3d & xcrtsden.

I tested PAW/USPP potential with ver. 4.6.4(pclinux_ifc_seq) and
Test calclations have finished without problem.

However, XSF file generated by cut3d 
 cannot be read correctly by xcrysden 
   when I used PAW/USPP potential.

(Output(XSF) files using NCPP(TM) type potential
  are read correctly.)

Test calc. are :
 1)Tutorial for use of PAW potential
   /Tutorial/tpaw1_1.in
   /Tutorial/tpaw1_x.files
   /Psps_for_tests/6c_lda.paw
 
 2)SCF calculation of BCC-Fe
   Input file: attached
   Potential : downloaded from abinit site

     http://www.abinit.org/PAW/ATOMICDATA
      /026-Fe/GGA-USPP-OPTIMIZED/fe_ps.abinit.paw.gga

Could you give me some information, please ?

----------------------------------
Masatake Takahashi
NEC Corporation
Jisso and Production Technologies 
    Research Laboratories
mail: m-takahashi@hq.jp.nec.com
tel : +81-42-779-9935
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