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lines changed Original file line number Diff line number Diff line change 11etotref -1675.0621003323110472
22etotperatomref -837.5310501662
3- totalforceref 9.445612
4- totalstressref 1646.076135
3+ totalforceref 9.443968
4+ totalstressref 1645.827919
55pointgroupref C_2v
66spacegroupref C_2v
77nksibzref 5
Original file line number Diff line number Diff line change 1- etotref -6147.553111898429
2- etotperatomref -3073.7765559492
1+ etotref -6147.5531114
2+ etotperatomref -3073.7765557
33totaltimeref 14.32
Original file line number Diff line number Diff line change 11etotref -197.1405644417868
22etotperatomref -98.5702822209
33variance_wfc_r_0_0 0.31340
4- variance_wfc_r_0_1 1.71055
5- variance_wfc_r_0_2 2.39603
4+ variance_wfc_r_0_1 1.71056
5+ variance_wfc_r_0_2 2.39604
66variance_wfc_r_0_3 1.66607
77variance_wfc_r_0_4 1.05190
88variance_wfc_r_0_5 1.29386
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