Find *CELL_PARAMETERS* in vc-relax.out , You will see *9 components*. (a1,a2,a3), (b1,b2,b3), (c1,c2,c3) and One *alat* value = something Use a =alat* Sqrt (a1^2 + a2^2 + a3^2) and b= alat* Sqrt (b1^2 + b2^2 + b3^2) c = alat* Sqrt (c1^2 + c2^2 + c3^2) where * means multiply and ^ means square. now divide c /a = celldm (3)
Regards, Gautam Sharma On Fri, Jul 28, 2017 at 12:32 PM, Anindya Bose <anin...@iiita.ac.in> wrote: > Dear Sir, > Where can I find the updated celldm(3) value after the successful > vc-relax?I need to know the information about c/a ratio of a relaxed > structure.Please help. > > Thanks and regards, > Anindya Bose > Research Fellow, > IIIT Allahabad > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
