The CASINO forum

I am trying to compile the latest beta version. The installer is able to find an archive file that is compatible with my machine, but when it tries to compile the code, it produces a long series of errors. The primary issue seems to be that my compiler doesn't like the options -0fast and -fprotect-p...

I am performing a vmc_opt calculation on benzene in which I set uu/=dd/=ud in U and F and u/=d in Chi. This appears to give a considerably better energy than uu=dd and u=d. I am concerned that since this is analogous to a spin unrestricted wavefunction, there might be spin contamination present. Is ...

Thanks Vladimir. Apparently my CASINO does not have envmc. I looked in bin_qmc and the listing goes from egaussian to expval_average, i.e., no envmc. I will try downloading and installing the program again.

Can anyone tell me where to find the routine envmc? When I try to use it to look at the vmc_opt energies, my computer tells me there is no such command. When I look through the CASINO files, I cannot find this utility in any subdirectory.