read list of inverse temperatures

[tmisawa]

Since there were some requests, in branch read_invetmp2, I have added a function that specifies inverse temperatures in the cTPQ calculations.

By adding the keyword InvTemp in namelist.det, e.g., InvTemp inv_temp.dat, one can perform the cTPQ calculation for the specified inverse temperatures.

Caution: Please note that the parameters for the cTPQ calculations specified in modpara.def (e.g. Lanczos_max, LargeValue, ExpandCoef , ExpecInterval) are ignored, if one uses InvTemp.

An example of int_temp.dat is shown below:

0 3 1 0.1 3 1 0.2 3 0 0.4 3 0 0.5 5 1 0.6 3 0

The first column: inverse temperature beta. The second column: ExpandCoef (order of the Taylor expansion for the imaginary time evolutions).
The third column: flag for calculating the Green functions. If flag=1, the Green functions are calculated at beta.

The above file means that the cTPQ calculations will be done at beta=0,0.1,0.2,0.4,0.5,0.6 and the Green functions will be calculated at beta=0,0.1,0.5. ExpandCoef is 3 for the imaginary time evolution from beta=0 to beta=0.1 and ExpandCoef is 5 for the imaginary time evolution from beta=0.5 to beta=0.6, and so on.

Caution: At this moment, beta=0 should be listed in inv_temp.dat.

Comments and/or requests are welcome as this is a trial implementation!

[tmisawa]

I have added the 4th column in inv_temp.dat. The 4th column represents the flag for outputting the tpq vector at beta.

The updated example of inve_temp.dat is as follows: An example of int_temp.dat is shown below:

0 3 1 1 0.1 3 1 0 0.2 3 0 0 0.4 3 0 0 0.5 5 1 1 0.6 3 0 0

This means that the tpq vectors at beta=0, 0.5 will be outputted.