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<p id="reply-intro">On 2021-09-24 14:22, Zahra Mosleh wrote:</p>

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<p><span style="font-size: 11pt;">Hi,everyone.</span></p>

<p align="justify"><span style="font-family: Liberation Serif, serif; font-size: 11pt;">I want to perform Scf calculation using quantum espresso. In the Input describtion of PW , naming an atom as X_* is allowed and</span></p>

<p align="justify"><span style="font-size: 11pt;"><span style="font-family: times new roman, times, serif;">max total length cannot exceed 3 characters (Card: ATOMIC_SPECIES)</span>. <span style="font-family: Liberation Serif, serif;">However , as I test, if X has four</span><span style="font-family: Liberation Serif, serif;"> letters (for example Ni11), <br />an error will occure as followed and If I switch Ni11 to V, the error dissappear.<br /><br />%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br />Error in routine card_atomic_species (10):<br />two occurrences of the same atomic label<br />%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br />how can I make this work if I need to name this way? </span><span style="font-family: Times New Roman, serif;">Could  anyone suggest me the solution for this problem?</span></span></p>

<p style="margin-bottom: 0in;" align="justify"><span style="font-family: Times New Roman, serif; font-size: 11pt;">Thank in advance,</span></p>

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