Dear siesta user, I have done some first-principles calculations with siesta.
I found that there are many errors for siesta output of LDOS (maybe density) for large systems with ten thousand atoms. This is because that siesta output is "i5" format for integer sometimes, I try to change all the "i5" into "i6". Some errors can be corrected. Still there is some error. How to deal with? -- Dr. Wei Hu Postdoc Computational Research Division Lawrence Berkeley National Laboratory Berkeley, CA 94720, USA Phone: +1-510-541-6034 E-mail: [email protected] Ph.D Department of Chemical Physics Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Technology of China Hefei, Anhui 230026, China Phone: +86-551-63606428 Mobile: +86-159 0560 4040 E-mail: [email protected] ResearchGate: https://www.researchgate.net/profile/Wei_Hu20?ev=hdr_xprf Google Scholar Citations: http://scholar.google.com/citations?user=t8Ncyb4AAAAJ
