Re: [QE-users] unable to open the output file of vc relax inxcrysden while performing calculation for slab

2018-10-13 Thread Priyanka Makkar
O 0.8483107420.6966214840.430588821 Fe 0.70.30.464325620 Mn 0.00.00.495280662 K_POINTS automatic 4 4 1 0 0 0 *Priyanka Makkar* *Research Scholar* *BITS Pilani K K Birla Goa Campus* *India* On Tue, Sep 25

[QE-users] unable to open the output file of vc relax in xcrysden while performing calculation for slab

2018-09-25 Thread Priyanka Makkar
Hello all, I am doing the calculation for making a slab of MnFe2O4 but the output file is not opening in xcrysden after vc relax. It is giving the following error as shown below. kindly help in getting the solution. Your reply will be grateful. Operating system : Linux [p20170414@kosambi

[QE-users] (no subject)

2018-07-23 Thread Priyanka Makkar
for the response. Thanks and regards *Priyanka Makkar* *Research Scholar * *Department of Chemistry* *BITS PILANI K K BIRLA GOA CAMPUS * *+91-9650393163* ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman