[Wien] (no subject)

Hello Every one In India we are celebrating today as teachers Day. Many of us are teachers who direct us to correct the calculation. For these teachers I wish you a very happy teachers Day!!! regards Bhamu ___ Wien mailing list Wien@zeus.theochem.tuwien

Re: [Wien] EFG dependence on magnetic field

See comments below: Thank you very much for your prompt response. What I understood is 1. run init_lapw 2. add case inorb and case.indm files with format as (I have two magnetic ions Co) == case.inorb = 31 0 nmod, natorb, ipr PRATT

Re: [Wien] I/O syntax error in B_ext calculation

Please read the user guide carefully. Your case.inorb file is wrong. On Sat, Sep 5, 2015 at 8:12 AM, Muhammad Sajjad wrote: > > Dear Users > I am running scf for Ba2CoSi2O7. simply I run > 1. init_lapw > 2. applied B_ext of 5T in case.inorb file. > 3. run the command line runsp_lapw -p -orb -cc

[Wien] I/O syntax error in B_ext calculation

Dear Users I am running scf for Ba2CoSi2O7. simply I run 1. init_lapw 2. applied B_ext of 5T in case.inorb file. 3. run the command line runsp_lapw -p -orb -cc 0.001 -ec 0.001 I came across the following error forrtl: severe (59): list-directed I/O syntax error, unit 5, file /scratch/sajjadm/work/

Re: [Wien] EFG dependence on magnetic field

Dear Gavin Thank you very much for your prompt response. What I understood is 1. run init_lapw 2. add case inorb and case.indm files with format as (I have two magnetic ions Co) == case.inorb = 3 1 0 nmod, natorb, ipr PRATT 1.0