Problem with anaddb

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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payam
Posts: 31
Joined: Fri Feb 12, 2010 7:59 pm

Problem with anaddb

Post by payam » Thu Aug 19, 2010 6:52 am

Hello Abinit users
I have produced band2eps.freq and band2eps.disp files using anaddb successfully but when I try to produce phonon band structure I get in trouble and error message:
inprep8 : open file anaddb2_band2eps.freq
PGIFO-F-231/formatted read/unit=2/error on data conversion.
File name = anaddb2_band2eps.freq formatted, sequential access record=3
In source file inprep8.F90, at line number 101

I don't understand what it is indicating.
This is my input file(anaddb3.in):
#Input file for 'band2eps.' This data layout must be used, line-by-line.
#number of atoms in a cell :
46
#minimum value, maximum value and number of tics of the vertical axe :
0.0 500.0 8
#Units : 1 for cm-1, 2 for THz :
1
#Number of lines :
7
#Description of the points in q space :
gamma K X gamma L X W L
#Number of q points for each line :
10 10 10 10 10 10 10
#Scale factor for each line :
1.06066017 0.35355339 1.0 0.86602540 0.86602540 0.5 0.70710678
#COLOR DEFINITION :
#put 1 in place of the atom you want to be colored in
#red
0 0
#green
0 0
#blue
0 0


and this is my files.file :
anaddb3.in
anaddb3.out
anaddb2_band2eps.freq
no

It would be appreciated if anyone help me.
Best regards,Payam Norouzzadeh

t-nissie
Posts: 12
Joined: Sat Jul 10, 2010 4:21 am
Contact:

Re: Problem with anaddb

Post by t-nissie » Thu Aug 19, 2010 4:33 pm

#COLOR DEFINITION :
#put 1 in place of the atom you want to be colored in
#red
0 0 <--- The number of 0's must be same as the number of atoms
#green
0 0 <---
#blue
0 0 <---
Takeshi Nishimatsu
love && peace && free_software
http://loto.sourceforge.net/feram/
Fast MD program for perovskite-type ferroelectrics

payam
Posts: 31
Joined: Fri Feb 12, 2010 7:59 pm

Re: Problem with anaddb

Post by payam » Fri Aug 20, 2010 2:59 am

Hello Prof.Nishimatsu
I modified the input file as you mentioned but still the problem is the same.
I got thermodynamical properties but can't plot phonon band structure due to that problem.
I will be thankful if you help me more.
Best regards,Payam Norouzzadeh

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