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<font size="+1">Dear all,<br>
I am trying to perform a temperature rescaling MD with PWscf<br>
<br>
&IONS<br>
ion_dynamics = 'verlet'<br>
ion_temperature = 'rescaling'<br>
tempw = 500.0<br>
nraise = 1<br>
tolp = 1.d-8<br>
wfc_extrapolation = 'first_order'<br>
/<br>
<br>
The starting temperature is correct but it decreases very rapidly<br>
<br>
358: Starting temperature = 500.00 K<br>
405: temperature = 496.70493449 K<br>
693: temperature = 0.24166052 K<br>
903: temperature = 0.21332563 K<br>
1113: temperature = 0.18863928 K<br>
1323: temperature = 0.16711531 K<br>
1533: temperature = 0.14835294 K<br>
1743: temperature = 0.13194319 K<br>
1953: temperature = 0.11759977 K<br>
2163: temperature = 0.10503616 K<br>
2373: temperature = 0.09401538 K<br>
2583: temperature = 0.08433571 K<br>
2793: temperature = 0.07582100 K<br>
3003: temperature = 0.06832018 K<br>
3213: temperature = 0.06170251 K<br>
3423: temperature = 0.05585484 K<br>
3633: temperature = 0.05067925 K<br>
3843: temperature = 0.04609150 K<br>
4053: temperature = 0.04201768 K<br>
4263: temperature = 0.03839409 K<br>
4473: temperature = 0.03516576 K<br>
4683: temperature = 0.03228480 K<br>
<br>
The question is: what is the printed values ? the real scaled
temperature, the temperature "before" scaling, the difference between
the the calculated and the wanted temperature ?<br>
Thanks for your help <br>
<br>
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