[Wien] LDA+U+SOC error
liumin
liumin3683609 at 163.com
Thu Jul 3 09:30:52 CEST 2014
Dear Prof.Blaha and Rubel:
Thank you for your reply, First I did the task of LDA+U+SOC in w2web, the sequence is :
init_lapw (in w2web)
initso (in command)
add case.indm .case.indmc, case.inorb. case.inorbc
runsp -so -orb (in w2web), the task can run successfully.
However,when I run the task in command, after init_lapw,runsp_lapw,it run successfully. But after initso_lapw, runsp_lapw -so -p, the task has failed after 8 iteration. It always the has "SELECT" error. I have changed any method in this step. It always failed. I don't kown why ?
Thank you very much.
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