[Pw_forum] vc-md only reach half of target temperature

[Riping Wang]

Dear Forum,

It try to heat vc-md calculations.
But I can not reach the target temperature.
When I set tempw = 100 ,  it will stable at about 38K
When I set tempw=1000, it will stable at about 400K.
I pasted part of my input bellow.
Any one have some idea?

Thank you very much.

'''
&control
    calculation = 'vc-md' ,
    prefix = 'alpo4-10' ,
    restart_mode = 'from_scratch' ,
    nstep = 30000 ,
    /iprint = 1 ,
    dt = 20 ,
/
&ions
    pot_extrapolation='second-order'
    wfc_extrapolation='second-order'
    ion_temperature = 'berendsen' ,
    tempw = 100 ,
/
&cell
    cell_dynamics = 'pr' ,
    press = 0 ,
'''

WANG Riping
2012.10.12

-- 
******************************************************************************
WANG Riping
Ph.D student,
Institute for Study of the Earth's Interior,Okayama University,
827 Yamada, Misasa, Tottori-ken 682-0193, Japan
Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)
E-mail: wang.riping.81 at gmail.com
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