quantum espresso 里面的problems computing cholesky报错
quantum espresso 里面的problems computing cholesky报错在跑很小的体系,比如11的石墨烯,或者11*1的单质铁的时候,qe计算报错:%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%Error in routine cdiaghg (22):problems computing cholesky%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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2021-10-13 16:14:27 ·
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