Fix: wrong band output when kpar > 1 #5847
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mohanchen
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* fix wrong band results when kpar>1 * fix compile * fix: bug for init_wfc file when nspin = 2 * add new integral test * format read_wfc_to_rho_test * [pre-commit.ci lite] apply automatic fixes --------- Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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Fix #5051
By the way, the PR also fixes the bug of wrong value of iktot. It occurs when nspin = 2. It affects read/write_wfc_pw.
Results of 101_PW_upf201_uspp_Fe are updated due to changed value of iktot.
Add tests for init_wfc && nspin = 2.