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		<title><![CDATA[Multiwfn forum / Multiwfn 3.8 (win version)-GAMESS-US  NPRINT error]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=396</link>
		<description><![CDATA[The most recent posts in Multiwfn 3.8 (win version)-GAMESS-US  NPRINT error.]]></description>
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			<title><![CDATA[Re: Multiwfn 3.8 (win version)-GAMESS-US  NPRINT error]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=1374#p1374</link>
			<description><![CDATA[<p>Your task hasn&#039;t normally finished, therefore the orbital expansion coefficient matrix has not been outputted yet.</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Thu, 24 Sep 2020 01:19:39 +0000</pubDate>
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			<title><![CDATA[Multiwfn 3.8 (win version)-GAMESS-US  NPRINT error]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=1373#p1373</link>
			<description><![CDATA[<p>Hello</p><p>I am trying to read a GAMESS-US output file and I get an error as </p><p>ading basis set definition...<br /> Loading orbitals...<br /> Error: Unable to find orbital coefficients field! The NPRINT parameter must be set to default value</p><p>However, I have not used the NPRINT command in my input file. This means its should be the default value of 7. This is verified in the output.</p><p> $CONTRL OPTIONS<br />&#160; &#160; &#160;---------------<br /> SCFTYP=RHF&#160; &#160; &#160; &#160; &#160; RUNTYP=ENERGY&#160; &#160; &#160; &#160;EXETYP=RUN<br /> MPLEVL=&#160; &#160; &#160; &#160;0&#160; &#160; &#160;CITYP =NONE&#160; &#160; &#160; &#160; &#160;CCTYP =NONE&#160; &#160; &#160; &#160; &#160;VBTYP =NONE<br /> DFTTYP=PBE0&#160; &#160; &#160; &#160; &#160;TDDFT =NONE<br /> MULT&#160; =&#160; &#160; &#160; &#160;1&#160; &#160; &#160;ICHARG=&#160; &#160; &#160; &#160;0&#160; &#160; &#160;NZVAR =&#160; &#160; &#160; &#160;0&#160; &#160; &#160;COORD =UNIQUE<br /> PP&#160; &#160; =READ&#160; &#160; &#160; &#160; &#160;RELWFN=NONE&#160; &#160; &#160; &#160; &#160;LOCAL =NONE&#160; &#160; &#160; &#160; &#160;NUMGRD=&#160; &#160; &#160; &#160;F<br /> ISPHER=&#160; &#160; &#160; &#160;1&#160; &#160; &#160;NOSYM =&#160; &#160; &#160; &#160;0&#160; &#160; &#160;MAXIT =&#160; &#160; &#160;200&#160; &#160; &#160;UNITS =ANGS<br /> PLTORB=&#160; &#160; &#160; &#160;F&#160; &#160; &#160;MOLPLT=&#160; &#160; &#160; &#160;F&#160; &#160; &#160;AIMPAC=&#160; &#160; &#160; &#160;T&#160; &#160; &#160;FRIEND=<br /> NPRINT=&#160; &#160; &#160; &#160;7&#160; &#160; &#160;IREST =&#160; &#160; &#160; &#160;0&#160; &#160; &#160;GEOM&#160; =INPUT<br /> NORMF =&#160; &#160; &#160; &#160;0&#160; &#160; &#160;NORMP =&#160; &#160; &#160; &#160;0&#160; &#160; &#160;ITOL&#160; =&#160; &#160; &#160; 20&#160; &#160; &#160;ICUT&#160; =&#160; &#160; &#160; &#160;9<br /> INTTYP=BEST&#160; &#160; &#160; &#160; &#160;GRDTYP=BEST&#160; &#160; &#160; &#160; &#160;QMTTOL= 1.0E-06</p><br /><p>Not sure what is wrong here. </p><p>Thanks-Nick</p><p><a href="http://sobereva.com/wfnbbs/uploads/dac4dd5f7b7122caef783ed8c417e03d.zip" rel="nofollow">MoS2-vacS2_ver2_water6-atomrem-hole2-VER2.inp.gms.zip</a></p>]]></description>
			<author><![CDATA[dummy@example.com (NickD)]]></author>
			<pubDate>Wed, 23 Sep 2020 15:59:22 +0000</pubDate>
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