About dtvmc and PCF
Posted: Sat May 16, 2020 8:21 am
Respected Sir,
Some of the problems I am facing in reproducing results of research paper "Lee and Drummond PRB B 83, 245114 (2011)" are following:
1) I had been looking into CASINO manual for what value of dtvmc should be used. But could not find any hint about it.
2) In finding pair correlation function, how can we obtain a smooth curve? I have tried using greater number of nsteps but that could bring better smoothening.
Some of the problems I am facing in reproducing results of research paper "Lee and Drummond PRB B 83, 245114 (2011)" are following:
1) I had been looking into CASINO manual for what value of dtvmc should be used. But could not find any hint about it.
2) In finding pair correlation function, how can we obtain a smooth curve? I have tried using greater number of nsteps but that could bring better smoothening.