dear all, i am a new user to quantum espresso and performing BOMD simulation i am getting these values for the bomd output file: WARNING setting to ZERO ions, electrons and cell velocities without setting to ZERO all velocities could generate meaningles trajectories PERFORMING CONJUGATE GRADIENT MINIMIZATION OF EL. STATES cg_sub: missed minimum, case 3, iteration 1 cg_sub: missed minimum, case 1, iteration 3 cg_sub: missed minimum, case 3, iteration 4 cg_sub: missed minimum, case 1, iteration 5 cg_sub: missed minimum, case 3, iteration 6 cg_sub: missed minimum, case 3, iteration 7 cg_sub: missed minimum, case 3, iteration 8 cg_sub: missed minimum, case 3, iteration 9 cg_sub: missed minimum, case 3, iteration 10 cg_sub: missed minimum, case 3, iteration 11 cg_sub: missed minimum, case 3, iteration 12 cg_sub: missed minimum, case 3, iteration 13 cg_sub: missed minimum, case 3, iteration 14 cg_sub: missed minimum, case 3, iteration 15 cg_sub: missed minimum, case 3, iteration 16 nfi ekinc temph tempp etot enthal econs econt vnhh xnhh0 vnhp xnhp0 nfi tempp E -T.S-mu.nbsp +K_p #Iter Step 1 597 1368.597891 1368.597891 1368.765258 17 Step 2 ******* NaN NaN NaN 100 Step 3 ******* NaN NaN NaN 100
why6 i am getting NaN printed for every value.Please help
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