3楼: Originally posted by cell at 2011-10-03 20:51:04:
按说明修改constr_cell_relax.F，不过提醒一下，不太准。

5楼: Originally posted by cell at 2011-10-04 07:29:42:
这是constr_cell_relax.F 子程序
!
! At present, VASP does not allow to relax the cellshape selectively
! i.e. for instance only cell relaxation in x direction.
! To be more precisse, this behavi ...

2楼: Originally posted by dxcharlary at 2011-10-01 10:40:57
这个vasp好像做不了，除非自己写程序。
MS可以。