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dyzheng avatar dyzheng commented on July 21, 2024

Error screen output maybe like that:
......
SELF-CONSISTENT :

ITER ETOT(eV) EDIFF(eV) DRHO2 CG_ITER TIME(S)
CG1 -2.118003e+02 0.000000e+00 1.885e-09 9.797e+00 6.705e-01
CG2 -2.118001e+02 2.212599e-04 9.424e-10 4.219e+00 1.733e-01
CG3 -2.118001e+02 -1.307544e-09 4.241e-11 2.141e+00 1.195e-01

<><><><><><><><><><><><><><><><><><><><><><
TOTAL-STRESS (KBAR):
<><><><><><><><><><><><><><><><><><><><><><
------------------- TOTAL STRESS --------------------
STRESS
+0x1.ebb3e060c4604p+6-0x1.535800353ce32p+1+0x1.abb4789c1f676p-12
-0x1.535800353ce32p+1+0x1.ebb3e741ec9c4p+6-0x1.86c7e14f8da05p-13
+0x1.abb4789c1f676p-12-0x1.86c7e14f8da05p-13+0x1.eb9ad146f1294p+6
------------------- KINETIC STRESS --------------------
+0.01660 +0.00001 0
+0.00001 +0.01660 0
0 0 +0.01660
------------------- LOCAL STRESS --------------------
-0.00965 +0.00013 0
+0.00013 -0.00965 0
0 0 -0.00965
------------------- HARTREE STRESS --------------------
+0.00157 -0.00001 0
-0.00001 +0.00157 0
0 0 +0.00157
------------------- NON-LOCAL STRESS --------------------
+0.01922 -0.00002 0
-0.00002 +0.01922 0
0 0 +0.01922
------------------- XC STRESS --------------------
-0.00568 -0.00000 0
-0.00000 -0.00568 0
0 0 -0.00568
------------------- EWALD STRESS --------------------
-0.02123 -0.00012 0
-0.00012 -0.02123 0
0 0 -0.02123
------------------- NLCC STRESS --------------------
0 0 0
0 0 0
0 0 0
------------------- TOTAL STRESS --------------------
+0.00084 -0.00002 0
-0.00002 +0.00084 0
0 0 +0.00084
......

from abacus-develop.

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