>DFT-Cohesive energy is decided by the functional and the >pseudo-potential.<br>
>If the pseudo-potential and the functional predict correctly the >ground<br>
>state of isolated atom and the bulk, we usually get less than >10% error.<br><br>@udai<br>thanks for posting the question<br>@duy<br>thanks for giving an insight into the issue. my question is what are the other parameters/tests other from cohesive energy calculations that can be used to estimate the validity of a pseudopotential as i want to generate one for Gadolinium<br>
<br>sincerely,<br>sreekar guddeti<br>BTech + MTech<br>Dept. Physics<br>IIT Bombay<br>India<br clear="all">