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Dear Diwaker,
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<div>usually this error just means you've run out of disk space.</div>
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<div>regards,</div>
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<div>-Kirk</div>
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<div>On May 1, 2013, at 11:03 PM, diwaker kumar <<a href="mailto:diwakerphysics@gmail.com">diwakerphysics@gmail.com</a>> wrote:</div>
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<div>Dear molpro users..<br>
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i am running mulliken population analysis on my input file as written below...<br>
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***, population analysis<br>
memory,1000,m<br>
geometry={<br>
30<br>
C -2.453000 2.123700 0.000000<br>
C -2.453000 1.298700 0.000000<br>
C -1.738000 0.886200 0.000000<br>
C -1.023000 1.298700 0.000000<br>
C -1.023000 2.123700 0.000000<br>
C -1.738000 2.536200 0.000000<br>
C -1.738000 3.361200 0.000000<br>
O -2.451600 3.772300 0.000000<br>
O -1.024400 3.772300 0.000000<br>
C -0.312100 3.361200 0.000000<br>
C 0.400100 3.772300 0.000000<br>
O -1.738000 0.061200 0.000000<br>
C -0.309400 0.886200 0.000000<br>
N -0.314900 0.102400 0.000000<br>
C 0.159500 -0.124400 0.000000<br>
C 0.221400 -0.946700 0.000000<br>
C 0.965300 -1.304200 0.000000<br>
C 1.647200 -0.838100 0.000000<br>
C 1.584000 -0.015800 0.000000<br>
C 0.840100 0.341700 0.000000<br>
C -0.459200 -1.411400 0.000000<br>
C -0.397400 -2.233700 0.000000<br>
C 0.346500 -2.591200 0.000000<br>
C 1.027100 -2.126400 0.000000<br>
C 1.771000 -2.483900 0.000000<br>
C 2.453000 -2.019200 0.000000<br>
C 2.389700 -1.195600 0.000000<br>
C 0.408400 -3.414800 0.000000<br>
C 1.152200 -3.772300 0.000000<br>
C 1.832900 -3.306200 0.000000<br>
}<br>
<br>
basis=6-311g<br>
hf<br>
pop;<br>
individual<br>
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and i am getting the following error in my out put..<br>
<br>
<br>
Eigenvalues of metric<br>
<br>
1 0.129E-07 0.216E-07 0.284E-07 0.697E-07 0.135E-06 0.198E-06 0.265E-06 0.324E-06<br>
2 0.165E-03 0.953E-03 0.104E-02 0.240E-02 0.308E-02 0.398E-02 0.852E-02 0.107E-01<br>
<br>
<br>
Contracted 2-electron integrals neglected if value below 1.0D-13<br>
AO integral compression algorithm 1 Integral accuracy 1.0D-13<br>
<br>
4660.396 MB (compressed) written to integral file ( 35.0%)<br>
<br>
<br>
NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 1582338135. BUFFER LENGTH: 32768<br>
NUMBER OF SEGMENTS: 50 SEGMENT LENGTH: 31998710 RECORD LENGTH: 524288<br>
<br>
Memory used in sort: 32.56 MW<br>
<br>
ERROR WRITING 32768 WORDS AT OFFSET 1076006912. TO FILE 4 IMPLEMENTATION=df FILE HANDLE= 1016 IERR=******<br>
? Error<br>
? I/O error<br>
? The problem occurs in writew<br>
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it would be great help to me if some one can help me in getting rid of this problem<br>
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kind suggestions and help is welcomed with thanks in advance..<br>
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<div>thanks <br>
yours sincerely<br>
Diwaker<br>
Research Scholar<br>
School of Basic sciences<br>
Indian Institute of technology Mandi(H.P)<br>
+919736660660<br>
Email Id-:<br>
<a href="mailto:diwakerphysics@gmail.com" target="_blank">diwakerphysics@gmail.com</a><br>
<a href="mailto:diwakerphysics@yahoo.in" target="_blank">diwakerphysics@yahoo.in</a><br>
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