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<BODY style="font-family:'Times New Roman'; font-size:13px"><div>Dear Wien2k users,</div><div>We are new to using wien and now on fresh wien install we have some problems.</div><div><br></div><div>After folowing manual on page 24 and starting x nn here is the line (<strong>Invalid null command.)</strong>, which is realy confusing.</div><div>Here is the output:</div><div><br>Commandline: x nn <br>Program input is: "2 " <br><br><strong>Invalid null command.</strong><br>STOP NN ENDS<br> specify nn-bondlength factor: (usually=2) [and optionally dlimit (about 1.d-5)]<br> DSTMAX: 20.000000000000000 <br> NAMED ATOM: Ti1 Z changed to IATNR+999 to determine equivalency<br><br> ATOM 1 Ti1 ATOM 2 C <br> RMT( 1)=2.09000 AND RMT( 2)=1.85000<br> SUMS TO 3.94000 LT. NN-DIST= 4.08937<br><br> ATOM 2 C ATOM 1 Ti1 <br> RMT( 2)=1.85000 AND RMT( 1)=2.09000<br> SUMS TO 3.94000 LT. NN-DIST= 4.08937<br>0.0u 0.0s 0:00.00 0.0% 0+0k 0+32io 0pf+0w<br><br> At the same time there is nothing wrong in :log. </div><div>Could you please help we to find this error? </div><div>With best regards, </div><div>Koroteev Victor.</div></BODY></HTML>