<div>Dear developer:</div><div> The offical definition of cmass is effective cell mass ,I used the equation:((molecular weight) × Number of molecules / Na) × 10e-3) kg, select other units for conversion .But the result is not match the cmass in cp2k-8.1/tests/Fist/regtest-1-2.So I want to know how to calculate the value of cmass,thanks for your reply.</div><div></div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/6178d04e.1c69fb81.bec83.56f1%40mx.google.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/6178d04e.1c69fb81.bec83.56f1%40mx.google.com</a>.<br />