Yunhao Zhao

Hi Shankar, I have some problems compling jdftx on Gorden SDSC( https://portal.xsede.org/sdsc-gordon#compiling...

Dear Shankar, Thank you so much abou t the explanation! I will check my case under...

Hi Shankar, I have posted the final optimized files of 1M case in the attachement....

OK, thank you very much! I put the "00" file containing all the files of the 1M ions,...

Select gcc as the compiler: module load gcc/4.7.1 module load mkl gsl cuda cmake...

OK, I will check that, thank you very much!

Oh, I see. Thank you very much Shankar. I also wonder, for example, when I optimized...

Hi Shankar, I met something wrong when optimizing a structure in water environment...