Cannot define correct structure for iron (Fe) with USPEX

[Natalia Koval]

Dear USPEX developers and users,

I run a simple test with USPEX, just want to calculate the structure of Fe_8 using VASP.

I did several calculations changing input files, but every time I get wrong result.

The density of iron should be 7.8 g/cm3, but USPEX gives me 9.1 value. And also

the final structure of my iron does not look like BCC. Could anyone please help me with this problem?

I attach output from one calculation. In this case I specified valence to 2, just to see what happens and nothing happens.

The result is pretty much the same as with valence 3. Sorry, if I did something strange, I'm not a chemist and don't know

much about valencies.

Another question. For one of the structures of iron I tried to optimize Vickers hardness (optType 1106), but

all the values in the file Properties were NaNs. The error in Warning file was the following:

Read_VASP : Failed to extract Elastic Constant Matrix from OUTCAR! A NaN matrix valuation is applied! 

Do I miss something in my VASP input files? They are the same as in the folder attached.

Looking forward for any answer!

Best regards,

Natalia

[Suraj]

Did any one find the solution?
I am getting similiar error when I try to run EX-17  (Maximize the Debye temperature of Carbon using the VASP code).
I have not change anything in the Example given.

--Error in log file--

Read_VASP : Failed to extract Elastic Constant Matrix from OUTCAR! A NaN matrix valuation is applied! 

--Error in nohup.out file--
Undefined function or variable 'Vol'.
Error in calcElasticProperties (line 47)
Error in Reading (line 188)
Error in ReadJobs (line 27)
Error in LocalRelaxation (line 52)
Error in EA_300 (line 13)
Error in Start (line 64)
Error in USPEX (line 39)
MATLAB:UndefinedFunction

Best regards,

Suraj