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Update output formats, prepare for ABACUS 3.11 version #6522
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…, change out_interval to out_freq_ion
…lec, he/she should first turn on out_freq_ion
…ction in pw basis
sunliang98
approved these changes
Sep 23, 2025
kluonj
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Sep 28, 2025
…6522) * add iter and itep into the output wave function file name in pw basis, change out_interval to out_freq_ion * fix bugs, default value of out_freq_ion is 0, if one needs out_freq_elec, he/she should first turn on out_freq_ion * fix bug in read_input_ptest * fix bug in read_input_item_test.cpp * read_wfc * update output file names of command out_wfc_pw * update description for out_wfc_pw * add inp into lcao_after_scf * update out_chg and out_pot * update elf * chagne eigs1.txt to eig.txt, change eig.txt to eig_occ.txt * update output of pw documents * update output of pw basis set * update dos and eig and eig_occ to adapt to g index * fix bugs in pw outputs * change chgs1 to chg * update file names and fix small bugs * out_dos update * update and fix band.txt * fix bug * update catch_properties, can deal with nspin=2 case to print wave function in pw basis * fix bug in 072_PW_ELF * fix 054 056 057 examples in 01_PW * fix 01_PW 100 * fix mulliken charge output * fix bugs in 02_NAO_Gamma * fix bugs in 03_NAO_multik * update to fix bugs in 03_NAO_multik * remove k in hkk1.txt skk1.txt tkk1.txt * update output formats * do not output ks_pw dos when performing SDFT calculations * add parameter in 007_PW_OW_GPU * update result.ref * fix some chg files * delete out_interval in INPUT * update documents * update 01_PW/203 example * update chage step -1 * fix bugs * fix bug in 23 example * fix bug * fix OFDFT example * fix bug in EXX
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Update output formats, prepare for ABACUS 3.11 version