| Developer | Date | Time | CPU | Program | Comments | |
| Michael Mehl | 2 June 1998 | 1100 | Eastern | Code 6690 ½ Origin (Patterson) | static | Ran static manual example 1 using serial, 2, 4, 6, and 8 processors. Results agreed with Absoft serial and IBM RS6000 serial to output precision in the SKENG file. |
| Michael Mehl | 2 June 1998 | 1100 | Eastern | Code 6690 ½ Origin (Patterson) | static | Ran static manual example 7 using serial, 2, 4, 6, and 8 processors. Results agreed with Absoft serial and IBM RS6000 serial to output precision in the SKENG and QLMT files. |
| Michael Mehl | 2 June 1998 | 1130 | Eastern | ARL SGI Origin | static | Test of static manual example1 Ran on serial, 2, 4, and 8 processors. All equivalent to previous runs to SKENG precision. Directories /home/navy/mehl/tbpar/static/example1/eckert.* where * = serial, par2, par4, par8 |
| Michael Mehl | 2 June 1998 | 1151 | Eastern | ARL SGI Origin | static | Test of static manual example3 Ran on serial, 2, 4, and 8 processors. All equivalent to previous runs to SKENG precision. Directories /home/navy/mehl/tbpar/static/example3/eckert.* where * = serial, par2, par4, par8 |
| Michael Mehl | 2 June 1998 | 1156 | Eastern | ARL SGI Origin | static | Test of static manual example7 Ran on serial, 2, 4, and 8 processors. All equivalent to previous runs to QLMT precision. Directories /home/navy/mehl/tbpar/static/example7/eckert.* where * = serial, par2, par4, par8 |
| Michael Mehl | 9 June 1998 | 1345 | Eastern | ARL SGI Origin | static | Test example I on SGI again. Works fine. |
| Michael Mehl | 18 June 1998 | 1330 | Eastern | Linux Serial Computer | static | Preliminary setup of a script to minimize two components of a lattice. Specifically, this was for C44 in hcp Titanium. The results will eventually be part of the static manual (Example 10). |
| Michael Mehl | 19 June 1998 | 1300 | Eastern | Linux Serial Computer | static | Final test of a script to minimize two components of a lattice. Specifically, this was for C44 in hcp Titanium. The results will eventually be part of the static manual (Example 10). Many calculations (about 60) are included in this step. |
| Michael Mehl | 19 June 1998 | 1755 | Eastern | Linux Serial Computer | fit | New fit for Cu, based on PW91 LDA/LAPW data for fcc, bcc, and sc. Will eventually be used as part of a new, improved CuAu fit. This was a preliminary setup run. |
| Michael Mehl | 19 June 1998 | 2300 | Eastern | Linux Serial Computer | fit | Continuation of the new fit for Cu, based on PW91 LDA/LAPW data for fcc, bcc, and sc. First try at fit -- reasonably good, except at large volume end for fcc and bcc. |
| Michael Mehl | 22 June 1998 | 1242 | Eastern | Code 6690 ½ Origin (Patterson) | fit | Continuation of Cu fit, this time on Patterson (SGI Origin). Used symmetry at Gamma point only. Fit seems to work, but still has a rather large error at large volumes. |
| Michael Mehl | 22 June 1998 | 1355 | Eastern | Code 6690 ½ Origin (Patterson) | fit | Continuation of Cu fit, using higher weights for fcc, bcc, and sc energies as compared to band structures and the "atomic" energy.. Still has a rather large error at large volumes. |
| Michael Mehl | 22 June 1998 | 1429 | Eastern | Code 6690 ½ Origin (Patterson) | fit | Continuation of Cu fit. Use weight of 5000 for fcc and bcc energies, 500 for atomic an sc energies. Still has a rather large error at large volumes. |
| Michael Mehl | 22 June 1998 | 1510 | Eastern | Code 6690 ½ Origin (Patterson) | fit | Tried to get a better fit by lowering lambda, freezing it and letting the onsite terms adjust. Not too successful, but will use for the next run. |
| Michael Mehl | 22 June 1998 | 1545 | Eastern | Code 6690 ½ Origin (Patterson) | fit | Fixed lambda from the previous run, allowed everything to change. Not much movement. |
| Michael Mehl | 22 June 1998 | 1655 | Eastern | Linux Serial Computer | fit | Try alternate run: start from scratch fitting routine. First fit only constant on-site terms. (Of course it is a bad fit right now.) |
| Michael Mehl | 22 June 1998 | 1655 | Eastern | Linux Serial Computer | fit | Continue alternate alternate run: Using 500/5000 weights. Fit all onsite terms (eg=t2g). Got F=5.98 (Still an obviously bad fit.) Best 500/5000 fit is currently F=.139, before we started fooling with lambda. |
| Michael Mehl | 22 June 1998 | 1913 | Eastern | Code 6690 ½ Origin (Patterson) | fit | After fixed lambda run, freed lambda and everything else. Get lambda = 1.345, F = 4.084, and rms energy error = 0.0066 For comparison, in best run lambda 1.44, F=.139 rms=.0013. |