Please run the following to predict the VVAC of a GLE thermostat:
prefix=wle1e1
../../../../bin/i-pi-gleacf -a conv -ifacf simulation-svr.vvac -ixml input.xml -mr 5000 -s 1 -ts 41.341373 -op svrto${prefix}
or 
../../../../bin/i-pi-gleacf -a conv -ifacf simulation-svr.vvac -ia A.data -mr 5000 -s 10 -ts 1.0 -op output
Note that TS has been to 1 since the units of the A matrix are in fs^-1.

Please run the following to extract the microcanonical vvac out of a vvac affected by a GLE thermostat:
prefix=wle1e1
../../../../bin/i-pi-gleacf -a deconv -ifacf simulation-${prefix}.vvac -ixml input.xml -mr 5000 -s 1 -ts 41.341373 -op ${prefix}2svr -dp 500 50
or
../../../../bin/i-pi-gleacf -a deconv -ifacf simulation-${prefix}.vvac -ia A.data -mr 5000 -s 1 -ts 1.0 -op ${prefix}2svr -dp 500 50
