Temperature during molecular dynamics

[neo]

hello everybody

i am doing simulated annealing of silicon clusters using VASP. In the OUTCAR file there is a warning that temperature is equal to (2*EKIN)/(degrees of freedom). I am heating my sample upto 1400K . i wanna to know what is the actual temperature. It is what i have specified in INCAR file or given by expression above
The INCAR file and warning messages are given below

SYSTEM=si5
Startparameter for this run:
NWRITE=1
ISTART=0
ISMEAR=0
ICHARGE=2
GGA=91
LCHARGE=.FALSE.
Electronic relaxation:
ENCUT=250
PREC=low
BMIX=2
MAXMIX=50
Ionic ralaxation:
IALGO=48
Parallezation flags:
NPAR=1
LPLANE=.True.
NSW=1420
ISIF=3
NBLOCK=1
SMASS=-1
IBRION=0
POTIM=1
TEIN=0
TEBEG=0
TEEND=1420
ISYM=0


and the warning message is

-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| VASP found 12 degrees of freedom |
| the temperature will equal 2*E(kin)/ (degrees of freedom) |
| this differs from previous releases, where T was 2*E(kin)/(3 NIONS). |
| The new definition is more consistent |
| |
-----------------------------------------------------------------------------

Value of EKIN coming out to be

ENERGIE OF THE ELECTRON-ION-THERMOSTAT SYSTEM (eV)
---------------------------------------------------
% ion-electron TOTEN = -15.673754 see above
kinetic Energy EKIN = 0.734201 (temperature 1420.00 K)
nose potential ES = 0.000000
nose kinetic EPS = 0.000000
---------------------------------------------------
total energy ETOTAL = -14.939553 eV

and temperature according to warning message is coming to be 0.1223. is this the actual temperature....

please help

thanks in advance

[forsdan]

The value 0.1223 is given in eV, equivalent to the product k*T, where k is Boltzmanns constant. The corresponding temperature T is then 1420 K as stated in the output.

/Dan

<span class='smallblacktext'>[ Edited Sun Apr 25 2010, 02:13PM ]</span>

[neo]

thanks dear