Search found 7 matches

by vanessa
Tue Jun 19, 2012 11:57 am
Forum: Configuring and compiling ABINIT
Topic: error in compilation abinit-6.12.3
Replies: 1
Views: 2308

error in compilation abinit-6.12.3

When I am trying to configure abinit-6.12.3 under suse-linux 12.1 (64 bit) I got this message:

Error: checking for patch.........no
configure: error: BigDFT requires patch-disable BigDFT or install patch

Can anyone tell me what's wrong?
Thanks in advance.
by vanessa
Wed Nov 16, 2011 12:49 pm
Forum: Other tools and postprocessing in ABINIT
Topic: Error running input file
Replies: 1
Views: 2332

Error running input file

Dear Users,

I run the anaddb under abinit-6.0.2/ and I got the following message:

The size of your input file is such the internal character string that should contain it is too small.
Action: decrease the size of your input, or contact the abinit group.

I'd appreciate your help.
Vanessa.
by vanessa
Thu Apr 14, 2011 2:11 pm
Forum: Response calculations
Topic: phonons
Replies: 6
Views: 6521

Re: phonons

Hi,
I did the modifications in the frequencies output file, and here is attached the figure I obtained, unfortunately it still contains some anomalies :(
file:///home/stahri/Desktop/trf2_6.out.pdf],
thanks in advance.
by vanessa
Wed Apr 13, 2011 1:43 pm
Forum: Response calculations
Topic: phonons
Replies: 6
Views: 6521

Re: phonons

Hi, I tried to change by hand the values at Gamma but I still having a trouble plot phonon band structure. I also used band2eps with the following trf2_6.in: [code][/code] #Input file for 'band2eps.' This data layout must be used, line-by-line. #number of atoms in a cell : 4 #minimum value, maximum ...
by vanessa
Tue Apr 12, 2011 7:01 pm
Forum: Response calculations
Topic: phonons
Replies: 6
Views: 6521

phonons

Dear Users,

I calculated the frequencies for AlN in wurtzite structure and when I plotted them I got a strange figure. So I asked how to correct the splitting in this structure,
thank you in advance.
vanessa.
by vanessa
Mon Apr 11, 2011 12:35 pm
Forum: Other tools and postprocessing in ABINIT
Topic: [SOLVED] problem with abinit -ifort path for shared libs
Replies: 2
Views: 4638

Re: problem with abinit

Thanks Dr.Alain, the problem was solved ;)
Vanessa
by vanessa
Fri Apr 08, 2011 3:10 pm
Forum: Other tools and postprocessing in ABINIT
Topic: [SOLVED] problem with abinit -ifort path for shared libs
Replies: 2
Views: 4638

[SOLVED] problem with abinit -ifort path for shared libs

Dear users,

I installed the abinit-6.4.2 on my linux workstation and when I run abinit an error occurs:

./abinit: error while loading shared librairies: libifport.so.5: cannot open shared object file : no such file or directory .
I will be very grateful if anyone can help me.
Vanessa.