RE: [SIESTA-L] [SIESTA-user] Problem while installing psml compatible SIESTA

2020-06-23 Por tôpico FOURCHES Nicolas
Hello, Has anyone have a users’ guide for the installation of siesta latest version for full parallel computing ? Where can I find this info ? Regards Nicolas Fourches From: siesta-l-requ...@uam.es On Behalf Of Yuvam Bhateja Sent: vendredi 19 juin 2020 10:49 To: siesta-l@uam.es Subject:

RE: [SIESTA-L] Query regarding charge calculation using SCF charge density difference

2021-02-28 Por tôpico FOURCHES Nicolas
Dear All, Where can I find the python fit_results.py script to fit the Murnaghan analytic equation of state ? If anyone can help ? Shouldn’t it be in the Utils ? Regards Nicolas Fourches From: siesta-l-requ...@uam.es On Behalf Of Andrei Postnikov Sent: vendredi 26 février 2021