ABINIT Discussion Forums

Hi everyone, I have trouble restarting MD simulations with the restartxf variable and HIST file. I have two problems as detailled below. Any help would be greatly appreciated. I use abinit/6.10.3 Looking at the tutorial on molecular dynamics, I used dmtype 12 and restartxf -1. The first problem is t...

Hello everyone, I have heard that the old variable restartxf is getting a new life with the introduction of HIST and OUT.nc files. I have an anxious question about it : Where can I find an up to date documentation about this variable and the associated files. I assume that the available documentatio...

Hello everyone, In the release notes of the version 6.8 two new variables appear : irdpawden and getpawden. " D.3 New input variables getpawden and irdpawden have been introduced. No documentation and no tests provided though ..." What is the use of these variables ? Are they useful for gr...