<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">a word file to transmit a QE input? <div>oh my goodness!<br><div><div>SB</div><div>On Oct 21, 2011, at 8:09 PM, bhabya sahoo wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">i have used the espresso file which is given <div>i want to convergence it but it is not converging</div><div>after many itteration</div><div>also i have incresed nstep and eletron step to high nothing results</div><div><br>
</div><div><br></div><div>the input file is the input file for uspex code</div><div>where kpoints and positions are written by itself</div><div><br></div><div><br></div><div><br></div><div>the eroor is that</div><div>force convergence is not achived</div>
<div><br></div><div><br></div><div>the file is given</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div>b d sahoo</div>
<div>reserch scholar</div><div><br></div>
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