1# two potential (Nested Monte Carlo) with volume moves 2 3&GLOBAL 4 PROJECT H2O_TMC 5 PROGRAM TMC 6 RUN_TYPE TMC 7 PRINT_LEVEL LOW 8 #TRACE 9 WALLTIME 00:01:30 10&END GLOBAL 11&MOTION 12 &TMC 13 GROUP_ENERGY_SIZE 1 14 GROUP_ENERGY_NR 1 15 GROUP_CC_SIZE 0 16 NUM_MC_ELEM 20 17 ENERGY_FILE_NAME H2O_ice.inp 18 TEMPERATURE 270 19 &MOVE_TYPE ATOM_TRANS 20 SIZE 0.1 21 PROB 1 22 INIT_ACC_PROB 0.2 23 &END 24 &MOVE_TYPE ATOM_SWAP 25 &END 26 &NMC_MOVES 27 NMC_FILE_NAME H2O_ice_2.inp 28 NR_NMC_STEPS 2 29 PROB 3 30 &MOVE_TYPE ATOM_TRANS 31 SIZE 0.1 32 PROB 1 33 INIT_ACC_PROB 0.2 34 &END 35 &MOVE_TYPE VOL_MOVE 36 SIZE 0.1 37 PROB 4 38 &END 39 &END NMC_MOVES 40 PRESSURE 0.01 41 NUM_MV_ELEM_IN_CELL 1 42 RND_DETERMINISTIC 42 43 INFO_OUT_STEP_SIZE 100 44 RESTART_OUT 0 45 PRINT_TEST_OUTPUT 46 &END TMC 47&END MOTION 48