[Pw_forum] Error in output in calculating stress

Dimpy Sharma dimpy.sharma at tyndall.ie
Tue Jul 7 13:06:54 CEST 2009


Hi Quantum espresso users,

I tried to calculate stress for a sytem by performing a scf calculation, presently I am running two diffrenet calculations by varying the lattice paarmeter of the system, howvever, I have found that at cell dimension either smaller or greater than the optimum lattice parameter, I cannot find the output, instead it is showing 
rm_l_6_1007: (61.828125) net_send: could not write to fd=5, errno = 32

can any body please give me a possible reason for the error,

also I want to ask one more thing, will there be any difference in my output result, if instead of atomic coordinates, I use fractional coordinates?

Thanks 

Dimpy
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