<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 14pt; color: #000000"><div><p style="margin: 0px; line-height: normal; background: white;" data-mce-style="margin: 0px; line-height: normal; background: white;"><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;">Dear Wien2k users,</span></p><p style="margin: 0px; line-height: normal; background: white;" data-mce-style="margin: 0px; line-height: normal; background: white;"><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;">I want to perform new calculations for NMR. First, I have tried to calculate NMR for LiF, NaF, KF, RbF and CsF compounds (Phys. Rev. b </span><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: #005a95;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: #005a95;"><a href="callto:85,%20245117(2012" data-mce-href="callto:85,%20245117(2012"><span style="color: #005a95; text-decoration: none; text-underline: none;" data-mce-style="color: #005a95; text-decoration: none; text-underline: none;">85, 245117(2012</span></a></span><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;">)).</span></p><p style="margin: 0px; line-height: normal; background: white;" data-mce-style="margin: 0px; line-height: normal; background: white;"><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;">Please let me know, how to calculate isotropic shielding for F-s band, metal-p band and F-p band? </span></p><p style="margin: 0px; line-height: normal; background: white;" data-mce-style="margin: 0px; line-height: normal; background: white;"><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;">(These values are calculated at Table 1 in <strong><span style="background: white;" data-mce-style="background: white;">Phys. Rev. b </span></strong></span><strong><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: #005a95; background: white;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: #005a95; background: white;"><a href="callto:85,%20245117(2012" data-mce-href="callto:85,%20245117(2012"><span style="color: #005a95; text-decoration: none; text-underline: none;" data-mce-style="color: #005a95; text-decoration: none; text-underline: none;">85, 245117(2012</span></a></span></strong><strong><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black; background: white;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black; background: white;">)</span></strong><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black;"> <span style="background: white;" data-mce-style="background: white;">)</span></span></p><p style="margin: 0px; line-height: normal; background: white;" data-mce-style="margin: 0px; line-height: normal; background: white;"><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black; background: white;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black; background: white;">Thank you for your attentions,</span></p><p style="margin: 0px; line-height: normal; background: white;" data-mce-style="margin: 0px; line-height: normal; background: white;"><span style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black; background: white;" data-mce-style="font-size: 14.0pt; font-family: 'Arial','sans-serif'; color: black; background: white;">Rahnama</span></p><p style="margin: 0px;" data-mce-style="margin: 0px;"> </p></div></div></body></html>