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Input file of SiO2
Posted: Fri Nov 01, 2013 10:39 am
by hn61
Dear All,
Could somebody help me to make an input file for SiO2? I want to calculate the wavefunctions _KSS file for SiO2.
Thank you
Re: Input file of SiO2
Posted: Mon Nov 04, 2013 8:03 am
by ilukacevic
Hi!
we cannot help you unless you tell us what the problem is. Please, be more specific about the issues that trouble you, and we'll give our best to help you.
Igor
Re: Input file of SiO2
Posted: Fri Nov 08, 2013 11:16 am
by hn61
Hello Igor,
I want to study the variation of refractive index versus chemical composition in quartz SiO2. For this purpose I am using DP code and for that I need the kss output file from abinit. However when I run the abinit it says there is a problem in your input file without mentioning any specific problem. That is why I am asking for an input file of SiO2 for simulating wavefunctions.
Thank you in advance for your help
Re: Input file of SiO2
Posted: Mon Dec 02, 2013 11:45 am
by ilukacevic
Please, tell us what exactly abinit gives you when it says there is a problem in your input file (the end of .out and log files).
Igor