Dear cp2k developers,<div><br></div><div>I'm wondering if I would like to write eigenvectors into a CSR file like <a href="https://manual.cp2k.org/trunk/CP2K_INPUT.html">CP2K_INPUT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html">FORCE_EVAL</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html">DFT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html">PRINT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/KS_CSR_WRITE.html">KS_CSR_WRITE</a>, what files and contents do I need to modify?</div><div><br></div><div>I'm an absolute newbie in Fortran. I have tried adding same subroutine like <b>write_ks_matrix_csr</b> in the file <b>qs_scf_csr_write.F</b>. Then change specific keyword from <b>KS_CSR_WRITE</b> to <b>EVECT_CSR_WRITE</b> (I have added this keyword in <b>input_cp2k_dft.F</b> file). But there are still two things that I'm confused with:</div><div>(1) In the sobroutine of <b>write_ks_matrix_csr</b>, there is a line of </div><div>                          <b>TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER         ::   matrix_ks</b></div><div>      I'm wondering which matrix should I use in this eigenvector subroutine? Is it <b style="">mo_coeff</b>? i.e., </div><div>                           <b>TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER         ::   mo_coeff</b></div><div>      By the way, is using <b>DIMENSION(:, :)</b> correct for <b>mo_coeff</b>?</div><div>(2) There is also a function included in <b>write_ks_matrix_csr</b> called "<b>get_qs_env</b>". I have tried adding mo_coeff in all the locations that matrix_ks appeared in the <b>qs_environment_types.F</b> and <b>qs_ks_types.F</b> files. I'm wondering is this correct?</div><div><br></div><div>Overall, CP2K can be compiled sucessfully, but the EVECT_CSR_WRITE function does not work. Any help would be really appreciated.</div><div><br></div><div>Regards,</div><div>Hongyang</div>

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