Re: [Wien] Fwd: Installation issue

yes sir. still the problem is there. No issue sir I can manually see the structures. Thanking you Indranil On Mon, Apr 29, 2019 at 8:37 PM Peter Blaha wrote: > Did you do the killing and restart of w2web ??? > > Am 29.04.2019 um 14:24 schrieb Indranil mal: > > By using the command line

Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

Thanks a lot Prof. Laurence Mark  and Delamora.I will study more and report back if there is any problem. With kind regards. Lawal On Monday, April 29, 2019, 1:27:18 AM GMT+8, Laurence Marks wrote: To generate such a superstructure you need to work out (aided by experiment) the

Re: [Wien] Fwd: Installation issue

Did you do the killing and restart of w2web ??? Am 29.04.2019 um 14:24 schrieb Indranil mal: By using the command line "xcrysden --wien_struct case.struct" I can see the structures and the view structure button is also showing in w2web. But When click on the view structure button "Requires

Re: [Wien] Fwd: Installation issue

By using the command line "xcrysden --wien_struct case.struct" I can see the structures and the view structure button is also showing in w2web. But When click on the view structure button "Requires X-Windows system ... " message is coming. Thanking you Indranil On Fri, Apr 26, 2019 at 11:02 AM

Re: [Wien] WARNING in CHARGED CELL calculation

You cannot remove the warning, it is there for all charged cells so users are aware that no corrections such as those in the references cited are made. It is only a warning, for your problem it can be ignored. On Mon, Apr 29, 2019 at 9:48 AM Santanu Pathak wrote: > I am calculating energy and

Re: [Wien] WARNING in CHARGED CELL calculation

I am calculating energy and hyperfine parameters for oxide. I have performed a neutral cell calculation and then due to performing, made the required changes in input files (1. Removed 1 electron, therefore reduced :NE by 1 in .in2c file, and 2. Edited 1st line in .inm file by BROYD -1.0 YES).