We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 4a60ee8 commit 12a1883Copy full SHA for 12a1883
tests/09_DeePKS/102_NO_GO_deepks_nscf/result.ref
@@ -1,8 +1,8 @@
1
etotref -74.3929556166736603
2
etotperatomref -14.8785911233
3
-totalforceref 778.174241
4
-totalstressref 1272.711589
+totalforceref 1495.625575
+totalstressref 574.321174
5
totaldosref 12
6
deepks_desc 8.045214
7
-deepks_dm_eig 29.53046025202608
+deepks_dm_eig 29.530460252025964
8
totaltimeref 1.12
tests/09_DeePKS/102_NO_KP_deepks_nscf/result.ref
@@ -1,7 +1,7 @@
etotref -469.5735907784966230
etotperatomref -156.5245302595
-totalforceref 330.972666
-totalstressref 24771.556634
+totalforceref 10.194156
+totalstressref 510.485544
totaldosref 28
deepks_desc 2.126589
deepks_dm_eig 10.532812121143177
0 commit comments