Re: [Wien] Problem faced during elastic constant calculation using Elast package.

ttps://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05509.html > [2] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05513.html > [3] > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07769.html > > On 9/19/2020 8:02 AM, upasana Rani w

[Wien] Problem faced during elastic constant calculation using Elast package.

Dear Users, Greetings! I am working on the calculation of elastic constants by using Elast (for cubic) package. The eos.job and rhomb.job runs smoothly but as I enter parameters to set rmt for tetra, I have faced an error.

Re: [Wien] Error in SCF calculation

on't show this message, you appear to be using an older > version. > > _ > Professor Laurence Marks > "Research is to see what everybody else has seen, and to think what nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu > > On Thu, Aug

Re: [Wien] Error in SCF calculation

nobody > else has thought", Albert Szent-Gyorgi > www.numis.northwestern.edu > > On Thu, Aug 27, 2020, 06:19 upasana Rani > wrote: > >> Dear Users, >> Greetings! >> I am using WIEN2k_19.1. When I run scf calculation using WC potential >> function

[Wien] Error in SCF calculation

Dear Users, Greetings! I am using WIEN2k_19.1. When I run scf calculation using WC potential functional, I found this error. forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH --- Kindly tell me the solution. Thanks !