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View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Saturday, June 10, 2006. The INDO-direct ci and INDO-pbc gap doesn't agree with each other. I checked if something is wrong with the demo-dci package and just in case updated the library file for singlet calculations ( there is also the triplet version of it) but it did not make any difference. Posted by vediz @ 12:35 PM. In my ...

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View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Saturday, June 10, 2006. The INDO-direct ci and INDO-pbc gap doesn't agree with each other. I checked if something is wrong with the demo-dci package and just in case updated the library file for singlet calculations ( there is also the triplet version of it) but it did not make any difference. Posted by vediz @ 12:35 PM. In my ...

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1 research

2 about me

3 name

4 vediz

5 previous posts

6 graphite

7 tubes project updated

8 phi1 vs phi2

9 previous meeting notes

10 todays progress

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research,about me,name,vediz,previous posts,graphite,tubes project updated,phi1 vs phi2,previous meeting notes,todays progress,dyes update,archives,0 comments,probably dist,tubes,qc ml

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Research | volkanediz.blogspot.com Reviews

https://volkanediz.blogspot.com

View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Saturday, June 10, 2006. The INDO-direct ci and INDO-pbc gap doesn't agree with each other. I checked if something is wrong with the demo-dci package and just in case updated the library file for singlet calculations ( there is also the triplet version of it) but it did not make any difference. Posted by vediz @ 12:35 PM. In my ...

INTERNAL PAGES

volkanediz.blogspot.com

1

Research: March 2006

http://volkanediz.blogspot.com/2006_03_01_archive.html

View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Tuesday, March 28, 2006. To plot phi1 vs phi2 I modified the code before but there is something wron in terms of the order of the excitation energies. Today, I'm recalculating the singlet excited states exciation energies for TO. Posted by vediz @ 8:14 AM.

2

Research: May 2006

http://volkanediz.blogspot.com/2006_05_01_archive.html

View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Wednesday, May 24, 2006. Dave doesn't believe that N-band goes through the HOMO-LUMO gap . He thinks that the issue is how you end the tubes at the edges. Check the literature about it. We need to make the assignments of the bands using the decomposition trick that Dave did before in his paper ( 2001, synthetic metals).

3

Research: November 2005

http://volkanediz.blogspot.com/2005_11_01_archive.html

View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Sunday, November 20, 2005. Posted by vediz @ 1:54 PM. Wednesday, November 09, 2005. Tonight, tubes.cxx is recompiled after we fix the bug found at the assignment of bands. The files are in the following directory. Home/vediz/code/bands/src/nt 8 0/sci 6 6/xu where x is the number of the unit cells. Posted by vediz @ 7:51 PM.

4

Research: Dyes update

http://volkanediz.blogspot.com/2005/12/dyes-update.html

View my complete profile. Tuesday, December 27, 2005. Moerner (J. Phys. Chem., 2004, 108) wanted to characterize the enviromental sensitivity of a specific type of a fluorescent dye through spectroscopic measurements. To understand further, he made electronic state calculations similar to what we have done for TO-X series. Posted by vediz @ 10:16 AM.

5

Research: Let's plat with ncells and the distortion factor

http://volkanediz.blogspot.com/2006/04/lets-plat-with-ncells-and-distortion.html

View my complete profile. How to create contourplots? Some articles and tubes. Thursday, April 20, 2006. Let's plat with ncells and the distortion factor. The distortion is defined along z-axis and I set the magnitude of distortion to 0.1 to see what happens for 11 unit cells, wannier cutoff=3, 10 filled, 10 empty bands. In my second attempt I'll try 0.005 keeping the rest of the parameters same. The bands are messy. In the third attempt I tried 0.0025 and the bands are still making zig-zags. The code gi...

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View my complete profile. The INDO-direct ci and INDO-pbc gap doesnt agree . Lets plat with ncells and the distortion factor. How to create contourplots? Some articles and tubes. Saturday, June 10, 2006. The INDO-direct ci and INDO-pbc gap doesn't agree with each other. I checked if something is wrong with the demo-dci package and just in case updated the library file for singlet calculations ( there is also the triplet version of it) but it did not make any difference. Posted by vediz @ 12:35 PM. In my ...

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