<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>Deal all,</div><div><br data-mce-bogus="1"></div><div>I have done some calculations for pristine graphene structure using B3LYP pseudo potential on my laptop and every think was perfect , then I buy a new system with Intel Core i7-8700K 6-Core 12-Thread Processor Review and I redo the same calculations using the same input files used before but by just fixing the outdir and applying the parallelization on the 12-thread (mpiexe -n 12 ...). The result was horrible, the relaxation gives wrong bond lenghts of the graphene structure <!--StartFragment--><span style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 16px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: #ffffff; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;" data-mce-style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 16px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: #ffffff; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;">(approximately 1.5 and 1.3 Angstrom) </span>that are completely different from that given on the laptop (approximately 1.42 Angstrom). Can anyone help to determine the reason of this problem and how can I solve it?</div><div><br data-mce-bogus="1"></div><div>Thank you very much,</div><div><br data-mce-bogus="1"></div><div>Zhour</div></div><br />--
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