ABINIT Discussion Forums

Hi all,

I am trying to prepare a density file with cut3d for a system with 10 atoms. The abinit version that I am using is 6.0.2. It gives me the following error. Could someone please help me with this.
Thanks
Mohua



What is the name of the 3D function (density, potential or wavef) file ?
t41o_optcell0_DS1_DEN
=> Your 3D function file is : t41o_optcell0_DS1_DEN

Does this file contain formatted 3D ASCII data (=0)
or unformatted binary header + 3D data (=1) ?
1
1 => Your file contains unformatted binary header + 3D data
The information it contains should be sufficient.
cut3d : read file t41o_optcell0_DS1_DEN from unit number 19.


hdr_io : ERROR -
The first line of the (WF, DEN or POT) file read in unit 19 is erroneous.
headform is 57, while it should be 23, 34, 40, 41, 42, 44 or 53.
Action : check the correctness of your file.

leave_new : decision taken to exit ...

The density has been generated with a new version of abinit (> 5.7, hence the code) but you are using an old version of cut3d (5.3), which does not accept the new format.

Use a more recent version of cut3d, which should be present alongside your abinit executable, and remove the old cut3d.

Try "which cut3d" to see which version of cut3d is actually being used on the command line.

Matthieu

I need your help, too. I have met the same problem. The abinit version that I am using is 5.8.3.but the question is where can I get a new version of cut3d!

Hello,

You should find cut3d in the same directory as where the abinit executable is.

David

Yes, I find it.But I still have no idea of solving my problem.Should I update my cut3d? How can I do it? Expecting your help,thanks.

What is the name of the 3D function (density, potential or wavef) file ?
t1xo_DEN
=> Your 3D function file is : t1xo_DEN

Does this file contain formatted 3D ASCII data (=0)
or unformatted binary header + 3D data (=1) ?
1
1 => Your file contains unformatted binary header + 3D data
The information it contains should be sufficient.
cut3d : read file t1xo_DEN from unit number 19.


hdr_io : ERROR -
The first line of the (WF, DEN or POT) file read in unit 19 is erroneous.
headform is 57, while it should be 23, 34, 40, 41, 42, 44 or 53.
Action : check the correctness of your file.

Hi! I am new to abinit and have version 6.4.3. As posted by others earlier, I am not able to read the _DEN file with the cut3d provided with the above version of abinit. If you have circumveted the problem, kindly advise. P.S. I am getting the same error as reported earlier by others.

Use the same distro for the abinit and cut3d executables. They should be in src/98_main/, or in the bin directory you chose if you ran "make install". Obviously cut3d can not be "forward compatible" with abinit versions in the future...

M.

Hello,
I also have the same problem to use cut3d.
The version is 6.4.3 abinit static binaries and I put 'abinit' and 'cut3d' in the same directory. ("tutorial/Input/Work").
Before I use 6.4.3, I tried to insatll 6.6.1 but I cannot succeed. That's why I go back to 6.4.3.
I run apt-get install abinit first before running cut3d.
I am not sure if it is the version problem.
Could anyone help me solve this problem ?

Thanks

If you install the correct version, and the problem is still there. Try to add the cut3d 's detail path before executing it. Maybe it works.