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This looks like a bug in the VASP program, and you should report it to VASP developers. |
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fp.log:
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| The initial velocities result in a center of mass drift but |
| there must be no drift. |
| The drift will be removed ! |
| |
E_kin_metric -2.457292483166029E-009
'EKIN: 1.592309474692543E-004 2.463716228449723E-002 -9.505173876442324E-006
10 T= 0. E= -.15513172E+03 F= -.15513188E+03 E0= -.15513188E+03 EK= 0.15923E-03 SP= 0.00E+00 SK= 0.00E+00 mag= 0.003
Information: wavefunction orthogonal band 155 0.8316
bond charge predicted
prediction of wavefunctions
wavefunctions rotated
Total vdW correction in eV: 41.5653192
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Is it possible that there is a problem with AIMD's incar settings?
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