Posted by Chong Peng on March 21, 2015 at 02:21:10:
Dear Molcas Developer,
I noticed that the default accuracy of molcas in read xyz file is 6 decimal points. Are there any ways to improve it to higher precision?
Thanks
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if B is 1s22s22p1, what is Li?
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Comments: : Dear Molcas Developer, : I noticed that the default accuracy of molcas in read xyz file is 6 decimal points. Are there any ways to improve it to higher precision? : Thanks