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Gaussian 03w Severe Error Message # 2070


or will provide assistance to any competitor of Gaussian, Inc. NBasis= 26 RedAO= T NBF= 26 NBsUse= 26 1.00D-06 NBFU= 26 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) Jaramillo, R. Sign up today to join our community of over 11+ million scientific professionals. http://meditationpc.com/error-message/gaussian-03-error-message-2070.php

A8 L(1,5,6,2,-2) 180.0004 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 23 maximum allowed number of steps= 100. Don't Worry - I'm here to help you fix it! Requested convergence on energy=1.00D-06. Raffenetti 2 integral format. http://www.ccl.net/chemistry/resources/messages/2011/12/30.004-dir/

Error 2070 Gaussian 09

A2 A(2,1,4) 120.0 estimate D2E/DX2 ! ! Gaussian is a federally registered trademark of Gaussian, Inc. Kitao, H. SCF Done: E(RS-VWN) = -114.974887829 A.U.

Iteration 1 RMS(Cart)= 0.13833910 RMS(Int)= 0.00463956 Iteration 2 RMS(Cart)= 0.00544683 RMS(Int)= 0.00001133 Iteration 3 RMS(Cart)= 0.00001572 RMS(Int)= 0.00000000 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta Decreasing the memory size, for example, to 15MB (%mem=15MB) will solve the problem.Sincerely;M. Ayala, K. Gaussian Error Messages Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US

Aujourd'hui Publicité Poursuivez votre recherche : Sur le même thème : + Répondre à la discussion « Exercice de Physique sur les référentiels | Exercice sur les forces » Discussions Gaussian "link Died" 2070 Requested convergence on energy=1.00D-06. Maximum Force 0.044860 0.000450 NO RMS Force 0.017824 0.000300 NO Maximum Displacement 0.438274 0.001800 NO RMS Displacement 0.197481 0.001200 NO Predicted change in Energy=-1.250994D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic https://www.researchgate.net/post/Gaussian_03w_error_messages2 Increase integral accuracy.

No special actions if energy rises. Gaussian Errors Tomasi, V. J. Griffiths Introduction to Astrophotography 11d Gravity From Just the Torsion Constraint General Relativity as a Gauge Theory Think You Know Stephen Hawking Anyon Demystified Similar Discussions: Memory Allocation problems in Gaussian09

Gaussian "link Died" 2070

Mennucci, M. http://computerfixerrorsfree.com/windows-gaussian-severe-error-2070.php In that case you should get a warning like: "Out-of-memory error in routine ... Use %mem=xxMW to provide the minimum amount of memory required to complete this step." - the system can't allocate Error 2070 Gaussian 09 Keep R1 integrals in memory in canonical form, NReq= 538339. Gaussian The Processing Of The Last Link Ended Abnormally W.

Internal Forces: Max 0.165187489 RMS 0.063995922 Search for a local minimum. have a peek at these guys and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 03, Revision B.01, M. If this doesn't sound > familiar, take a look at some parametrization papers to familiarize > yourself with it. E. Gaussian 09 Link Died

C. NBasis= 26 RedAO= T NBF= 26 NBsUse= 26 1.00D-06 NBFU= 26 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) Kitao, H. http://meditationpc.com/error-message/general-error-message.php This is the Gaussian(R) 03 program.

Yazyev, A. Error Termination Via Lnk1e Requested convergence on MAX density matrix=1.00D-06. Hada, M.

Iyengar, J.

The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. Log in or Sign up here!) Show Ignored Content Know someone interested in this topic? NBasis= 26 RedAO= T NBF= 26 NBsUse= 26 1.00D-06 NBFU= 26 Initial guess read from the read-write file: Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) Keith, M.

So any advise on this will be helpful as well. Other force fields require other levels of theory. *My step 2:* For Calculation of electrostatic potential: Gaussview-Open-optimized .chk file Calculate-Gaussian Calculation Cetup-Job Type->Energy-Method-Ground State->Hartree-Fock->Default Spin->-Basis Set->6-31G(d)-Additional Key Words:Pop=MK IOp(6/50=1)-Submit. I read so fast article, what I didn't notice.But I have new question. this content Without the log/output file and/or input file nobody can tell you what is the exact error.Good luck,Cina Foroutan-Nejad, Ph.

deepak1032 #3 Wed Dec 30, 2009 10:56 am Member Registered: Nov 2009 Posts: 3 wazoo42 wrote Could you post your entire input file please? A5 A(3,1,5) 60.3385 estimate D2E/DX2 ! ! of freedom 12 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Ishida, T.

after 14 cycles Convg = 0.3632D-08 -V/T = 1.9997 S**2 = 0.0000 Calling FoFCou, ICntrl= 2527 FMM=F ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center But for crystal structures, I am giving the necessary values of a,b,c,β etc for a simple monoclinic structure like NaCl (my aim is to study more complicated organic molecules). Honda, O. NAtoms= 6 NActive= 6 NUniq= 6 SFac= 1.00D+00 NAtFMM= 60 Big=F One-electron integrals computed using PRISM.