Commit 45913d8d authored by giannozz's avatar giannozz

Clarification on the correct sign of delta_t


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/[email protected] c92efa57-630b-4861-b058-cf58834340f0
parent fa27da6f
......@@ -1571,7 +1571,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
if ion_temperature='reduce-T':
every 'nraise' steps the instantaneous temperature is
reduced by -delta_T (.e. delta_t is added to the temperature)
reduced by -delta_T (i.e. delta_t < 0 is added to T)
The instantaneous temperature is calculated at the end of
every ionic move and BEFORE rescaling. This is the temperature
......
......@@ -571,7 +571,7 @@ CONTAINS
!
WRITE( UNIT = stdout, &
FMT = '(/,5X,"Thermalization: T (",F6.1,"K) reduced ",&
& "by ",F6.3)' ) temp_new, delta_t
& "by ",F6.3)' ) temp_new, -delta_t
!
CALL thermalize( 0, temp_new, temperature )
!
......
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