ABINIT Discussion Forums

Posted: **Tue Jan 16, 2018 1:49 am**

Program doesn't seem to be reading coordinate inputs correctly.

I get the error:

Attempted to read ndig=14 floating point digits,
from string(1:ndig) 0.52083000+E00, to initialize a floating variable.

inarray :
An error occurred reading data for keyword " XCART",
looking for 108 array elements

Here's the code:

natom 36 ntypat 3 typat 19*1 12*2 6*3 znucl 9.0 3.0 4.0
nband 80
xcart
0.52083000+E00 6.34067000+E00 7.93547000+E00
0.49915000+E00 0.68722000+E00 2.69284000+E00
5.40419000+E00 6.05658000+E00 8.10849000+E00
3.63760000+E00 0.91518000+E00 1.62362000+E00
8.03029000+E00 3.44032000+E00 3.48519000+E00
2.80320000+E00 5.54940000+E00 1.01246500+E01
0.00000000+E00 3.16611000+E00 7.18011000+E00
5.33018000+E00 2.91341000+E00 7.35572000+E00
1.37231000+E00 3.65292000+E00 1.34398000+E00
5.38038000+E00 3.55009000+E00 1.05235900+E01
7.32802000+E00 4.76621000+E00 0.65308000+E00
2.56847000+E00 2.34420000+E00 9.04026000+E00
3.53357000+E00 7.61987000+E00 3.56259000+E00
4.20671000+E00 4.78776000+E00 4.95830000+E00
5.37863000+E00 1.65757000+E00 4.39961000+E00
3.72459000+E00 0.00000000+E00 6.87860000+E00
4.35849000+E00 3.65090000+E00 0.00000000+E00
4.84196000+E00 6.91973000+E00 0.62202000+E00
1.69367000+E00 5.45630000+E00 3.51013000+E00
3.08226000+E00 2.93483000+E00 3.38216000+E00
7.70136000+E00 2.43022000+E00 6.04167000+E00
5.37951000+E00 3.71265000+E00 2.62145000+E00
5.00795000+E00 0.91562000+E00 9.31854000+E00
3.04099000+E00 4.62651000+E00 7.52709000+E00
2.03071000+E00 6.50605000+E00 1.30792000+E00
3.62945000+E00 5.09563000+E00 2.28580000+E00
0.79299000+E00 0.93452000+E00 5.59746000+E00
5.56089000+E00 7.15346000+E00 5.49698000+E00
2.76408000+E00 0.71908000+E00 4.29453000+E00
1.57755000+E00 5.00501000+E00 5.77378000+E00
2.68246000+E00 2.59737000+E00 5.99473000+E00
0.72795000+E00 3.19081000+E00 4.25151000+E00
6.48812000+E00 1.86515000+E00 1.40361000+E00
6.21622000+E00 6.00626000+E00 3.22467000+E00
3.07072000+E00 7.00778000+E00 6.50413000+E00
6.98681000+E00 4.97283000+E00 5.77503000+E00

As you can see, there's definitely 108 coordinates provided in the array.

Posted: **Mon Mar 19, 2018 10:56 pm**

It should be E+00 instead of +E00.

Posted: **Thu Mar 29, 2018 11:07 am**

Hello everyone,

I have the same problem with RPRIM. I get this error message :

" inread : ERROR -
Attempted to read ndig=9 floating point digits,
from string(1:ndig) SQRT(3)/2, to initialize a floating variable.

inarray :
An error occurred reading data for keyword " RPRIM",
looking for 9 array elements. "

In my input file I define RPRIM like this:
rprim
1.0 0.0 0.0
-0.5 sqrt(3)/2 0.0
0.0 0.0 1.0

I suppose that it comes from sqrt(3)/2. However I don't want to use a decimal approximate value.

Should anyone help me ??

Yours sincerely

Posted: **Fri Apr 06, 2018 4:30 pm**

Hello Hola!

You are correct that it is the sqrt(3)/2 that leads to the Abinit error message. As it states in the tutorials, the input reader of Abinit can read some fractions (1/2, 1/3, etc) but cannot read in anything more complex such as the sqrt(). I suggest replacing sqrt(3)/2 by 0.86602540378 (which has the required number of digits (10 in this case due to tolsym).

Cheers!

ABINIT Discussion Forums

xcart error, can't read floating point variable from string

xcart error, can't read floating point variable from string

Re: xcart error, can't read floating point variable from str

Re: xcart error, can't read floating point variable from str

Re: xcart error, can't read floating point variable from str