[Pw_forum] Dispersion Correction

Hi, In PBE with Dispersion Correction, what is exact meaning of "Dispersion Correction" in output? Is it only for dispersion interaction energy or any interatomic interaction after dispersion? ############ TAE BUM LEE Dept. Chemistry. & Biochemistry A

[Pw_forum] Fortran runtime error

397211 Zn3.24938375307.50417723900.00 O3.24938375Zn7.50417723901.9883719800 Zn4.87388878906.56613749602.601900 O4.87388878906.56613749604.397211 K_POINTS automatic 1 1 1 1 1 1 -- ########

[Pw_forum] parallel version error in quad core Xeon

7823 G-vectors) FFT grid: ( 24, 24, 36) G cutoff = 61.1243 ( 2791 G-vectors) smooth grid: ( 15, 15, 25) rank 3 in job 37 Lynx_60167 caused collective abort of all ranks exit status of rank 3: killed by signal 9 -- #### TAE BUM LEE Dept.

[Pw_forum] parallel version error in quad core Xeon

HI, Yes it is. Please see the last two lines Thanks, TaeBum 2010/4/27 archygu > Hi, is this your full out put file? it seams that the error happen has > not been mentioned. > > > 2010-04-28 > -- > archygu > ------------