[Phonopy-users] Create FORCE_CONSTANTS with OUTCAR.

[xirainbow <nkx...@gm...>]

Dear All:
        I try to create FORCE_CONSTANTS with OUTCAR (I have removed
vasprun.xml before:(  )

I have calculated in VASP with IBRION = 8 and NSW = 1 before with a POSCAR.
I go into the directory of vasp calculation, and type:
$phonopy --fco OUCAR

I get the following error message:
"*Traceback (most recent call last):*
*  File "/export/home/hwang/bin/phonopy", line 237, in ?*
*    force_constants = file_IO.read_force_constant_OUTCAR( args[0] )*
*  File "./lib64/python/phonopy/hphonopy/file_IO.py", line 457, in
read_force_constant_OUTCAR*
*NameError: global name 'force_constants' is not defined*"


I checke the OUTCAR file and find " *SECOND DERIVATIVES (NOT SYMMETRIZED)*"
I grep "FORCE-CONSTANT" in OUTCAR and find 5 results (I have a ABO3 cubic
crystall).
"* POSITION                   FORCE-CONSTANT FOR ION    1 DIRECTION 1
(eV/Angst/Angst)*
* POSITION                   FORCE-CONSTANT FOR ION    5 DIRECTION 1
(eV/Angst/Angst)*
* POSITION                   FORCE-CONSTANT FOR ION    9 DIRECTION 1
(eV/Angst/Angst)*
* POSITION                   FORCE-CONSTANT FOR ION   17 DIRECTION 1
(eV/Angst/Angst)*
* POSITION                   FORCE-CONSTANT FOR ION   17 DIRECTION 2
(eV/Angst/Angst)"*
*
*
*Thanks in advance:)*

-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China