<html><head></head><body><div class="ydp61f6606yahoo-style-wrap" style="font-family: times new roman, new york, times, serif; font-size: 16px;"><div><div>Dear Dr. Peter Blaha (sir) and experts,</div><div><br></div><div>I have tried to import a cif file of experimental structure with space group C2/c(#15) by using cif2struct script. This script interchanged Y-Z (Beta into gamma) for Monoclinic lattice. I have tried to fixed it my manually but initialization was failed. Is it error? The properties studied by this way will be wrong? I have found bandgap ~2.17 eV while the experimental gap is 2.38 eV. The band structure calculated by using PBE functional in VASP seems to have same features. Please confirm me that is this method wrong or right?</div><div>Thank you so much for your time.<br></div><div><br></div><div>Sincerely,<br></div><div class="ydp61f6606signature"><span style="color:rgb(34, 34, 34);font-family:arial, sans-serif;font-size:12.8px;background-color:rgb(255, 255, 255);">Enamul Haque</span><div style="color:rgb(34, 34, 34);font-family:arial, sans-serif;font-size:12.8px;background-color:rgb(255, 255, 255);">Mawlana Bhashani Science and Technology University</div><div style="color:rgb(34, 34, 34);font-family:arial, sans-serif;font-size:12.8px;background-color:rgb(255, 255, 255);">Tangail, Bangladesh.</div><div style="color:rgb(34, 34, 34);font-family:arial, sans-serif;font-size:12.8px;background-color:rgb(255, 255, 255);">Email: enamul@mailaps.org</div><div style="color:rgb(34, 34, 34);font-family:arial, sans-serif;font-size:12.8px;background-color:rgb(255, 255, 255);">Cell: +8801831911133</div></div></div></div></body></html>