<div dir="ltr"><div dir="ltr">On Wed, Dec 2, 2020 at 3:26 AM Yichen Qian <<a href="mailto:yqian1@villanova.edu">yqian1@villanova.edu</a>> wrote:<br></div><div class="gmail_quote"><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;"><div><span style="font-variant-ligatures:no-common-ligatures">I don’t know which namelist I made mistake</span></div></div></blockquote><div><br></div><div>it's written in the error message:</div><div><br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;"><div><span style="font-variant-ligatures:no-common-ligatures">.</span><span style="font-variant-ligatures:no-common-ligatures">     Error in routine dos (1):</span>
<span style="font-variant-ligatures:no-common-ligatures"></span><span style="font-variant-ligatures:no-common-ligatures"></span> <br></div></div></blockquote><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;"><div><span style="font-variant-ligatures:no-common-ligatures">     reading dos namelist</span></div></div></blockquote><div> </div><div>so it's this one:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;"><div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;"><div><span style="font-variant-ligatures:no-common-ligatures"></span></div></div></blockquote><span style="font-variant-ligatures:no-common-ligatures"></span><span style="font-variant-ligatures:no-common-ligatures"></span><span style="font-variant-ligatures:no-common-ligatures"> <br></span></div><span style="font-variant-ligatures:no-common-ligatures"><div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo"><span style="font-variant-ligatures:no-common-ligatures">&dos </span></div></span><div><span style="font-variant-ligatures:no-common-ligatures">
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures"> prefix='Tungsten'</span></div>
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures"> outdir='W_output/'</span></div>
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures"> ngauss=1</span></div>
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures"> degauss=1.5d-2</span></div>
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures"> DeltaE=1.0d-2</span></div>
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures"> fildos='Tungsten.dos'</span></div>
<div style="margin:0px;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo">
<span style="font-variant-ligatures:no-common-ligatures">/</span></div>
</span></div>
</div></blockquote><div><br></div><div> Note that the error might be in the way you provide the input, not in the namelist itself (which looks to me 100% correct)</div><div><br></div><div>Paolo<br></div></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>